Q7P

6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione

Created:	2019-10-01
Last modified:	2024-09-27

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1 entries where Q7P is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	0

2D diagram of Q7P

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Chemical Component Summary
Name	6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	6-(4-oxidanylbutylamino)-5-[(~{E})-2-oxidanylidenepropylideneamino]-1~{H}-pyrimidine-2,4-dione
Formula	C₁₁ H₁₆ N₄ O₄
Molecular Weight	268.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(NC(=O)C(/N=C/C(C)=O)=C(NCCCCO)N1)=O
SMILES	CACTVS	3.385	CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCCO
Canonical SMILES	CACTVS	3.385	CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO
InChI	InChI	1.03	InChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+
InChIKey	InChI	1.03	OCPAQIZKGXRILZ-AWNIVKPZSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.