N-(1H-benzimidazol-2-yl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanamide Openeye Name: N-(1H-benzimidazol-2-yl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: N-(1H-benzimidazol-2-yl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanamide IUPAC Name: N-(1H-benzimidazol-2-yl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanamide Traditional Name: N-(1H-benzimidazol-2-yl)-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionamide Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=NC4=CC=CC=C4N3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=NC4=CC=CC=C4N3)CC(C)C

InChI

InChI=1S/C23H29N7O3/c1-4-5-12-29-20-19(21(32)28-23(29)33)30(13-14(2)3)17(26-20)10-11-18(31)27-22-24-15-8-6-7-9-16(15)25-22/h6-9,14H,4-5,10-13H2,1-3H3,(H,28,32,33)(H2,24,25,27,31)