English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

NV2

Summary

Name:	5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
Synonyms:	5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Formula:	C23 H30 N4 O4
Formal charge:	0
Formula weight:	426.509 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3
InChIKey	InChI	1.03	DDSHVVXWYKDTTQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCC(COC)n1c2ccc(cc2nc1C3=CN(C)C(=O)C(=C3)C)N4CCOCC4
SMILES	CACTVS	3.385	COCC(COC)n1c2ccc(cc2nc1C3=CN(C)C(=O)C(=C3)C)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4

218500

数据于2024-04-17公开中

PDB statistics

PDBj update info

Contact PDBj

numon