butyl 3-[[2-(6-chloranylbenzimidazol-1-yl)-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-6-yl]amino]azetidine-1-carboxylate

Systemtic Name: butyl 3-[[2-(6-chloranylbenzimidazol-1-yl)-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-6-yl]amino]azetidine-1-carboxylate Openeye Name: butyl 3-[[2-(6-chlorobenzimidazol-1-yl)-8-oxo-9-tetrahydropyran-4-yl-7H-purin-6-yl]amino]azetidine-1-carboxylate CAS Name: 3-[[2-(6-chloro-1-benzimidazolyl)-9-(4-oxanyl)-8-oxo-7H-purin-6-yl]amino]-1-azetidinecarboxylic acid butyl ester IUPAC Name: butyl 3-[[2-(6-chlorobenzimidazol-1-yl)-9-(oxan-4-yl)-8-oxo-7H-purin-6-yl]amino]azetidine-1-carboxylate Traditional Name: 3-[[2-(6-chlorobenzimidazol-1-yl)-8-keto-9-tetrahydropyran-4-yl-7H-purin-6-yl]amino]azetidine-1-carboxylic acid butyl ester Formula: C25H29ClN8O4 MolecularWeight: 541.00196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CC(C1)NC2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)Cl

Isomeric SMILES

CCCCOC(=O)N1CC(C1)NC2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)Cl

InChI

InChI=1S/C25H29ClN8O4/c1-2-3-8-38-25(36)32-12-16(13-32)28-21-20-22(34(24(35)29-20)17-6-9-37-10-7-17)31-23(30-21)33-14-27-18-5-4-15(26)11-19(18)33/h4-5,11,14,16-17H,2-3,6-10,12-13H2,1H3,(H,29,35)(H,28,30,31)