XOJ

1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea

Created:	2015-06-08
Last modified:	2015-08-05

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1 entries where XOJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	76
Chiral Atom Count	0
Bond Count	78
Aromatic Bond Count	17

2D diagram of XOJ

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Chemical Component Summary
Name	1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
Systematic Name (OpenEye OEToolkits)	1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
Formula	C₂₇ H₃₉ N₇ O₃
Molecular Weight	509.644
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3
SMILES	OpenEye OEToolkits	1.7.6	CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC
Canonical SMILES	CACTVS	3.385	CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC
InChI	InChI	1.03	InChI=1S/C27H39N7O3/c1-8-34(9-2)12-10-11-28-25-29-17-19-15-22(18-13-20(36-6)16-21(14-18)37-7)24(30-23(19)31-25)32-26(35)33-27(3,4)5/h13-17H,8-12H2,1-7H3,(H3,28,29,30,31,32,33,35)
InChIKey	InChI	1.03	JZVDJULPDILYDY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91826045

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