07T

6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one

Created:	2011-10-05
Last modified:	2012-09-07

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1 entries where 07T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	15

2D diagram of 07T

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Chemical Component Summary
Name	6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₇ H₁₆ N₄ O₂ S₂
Molecular Weight	372.465
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(N=Cc3c1n(c2cc(sc23)S(=O)C)C)Cc4cccc(N)c4
SMILES	CACTVS	3.370	Cn1c2cc(sc2c3C=NN(Cc4cccc(N)c4)C(=O)c13)[S](C)=O
SMILES	OpenEye OEToolkits	1.7.2	Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)S(=O)C
Canonical SMILES	CACTVS	3.370	Cn1c2cc(sc2c3C=NN(Cc4cccc(N)c4)C(=O)c13)[S@@](C)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C
InChI	InChI	1.03	InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3/t25-/m1/s1
InChIKey	InChI	1.03	ZWKJWVSEDISQIS-RUZDIDTESA-N

Related Resource References

Resource Name	Reference
PubChem	60156291

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