4-[2-[(9-cyclopropyl-8-oxidanylidene-purin-7-yl)methyl]benzimidazol-1-yl]butanenitrile

Systemtic Name: 4-[2-[(9-cyclopropyl-8-oxidanylidene-purin-7-yl)methyl]benzimidazol-1-yl]butanenitrile Openeye Name: 4-[2-[(9-cyclopropyl-8-oxo-purin-7-yl)methyl]benzimidazol-1-yl]butanenitrile CAS Name: 4-[2-[(9-cyclopropyl-8-oxo-7-purinyl)methyl]-1-benzimidazolyl]butanenitrile IUPAC Name: 4-[2-[(9-cyclopropyl-8-oxopurin-7-yl)methyl]benzimidazol-1-yl]butanenitrile Traditional Name: 4-[2-[(9-cyclopropyl-8-keto-purin-7-yl)methyl]benzimidazol-1-yl]butyronitrile Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=NC=NC=C3N(C2=O)CC4=NC5=CC=CC=C5N4CCCC#N

Isomeric SMILES

C1CC1N2C3=NC=NC=C3N(C2=O)CC4=NC5=CC=CC=C5N4CCCC#N

InChI

InChI=1S/C20H19N7O/c21-9-3-4-10-25-16-6-2-1-5-15(16)24-18(25)12-26-17-11-22-13-23-19(17)27(20(26)28)14-7-8-14/h1-2,5-6,11,13-14H,3-4,7-8,10,12H2