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Summary Geometry Related PDB entries

D7C

Summary

Name:	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
Formula:	C19 H19 N7 O
Formal charge:	0
Formula weight:	361.4 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2~{S})-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1
InChIKey	InChI	1.03	FWIWLYXORKTJJN-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4
SMILES	CACTVS	3.385	C[CH]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4CC3C)C

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