4-[3-butyl-7-cyclopentyl-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[3-butyl-7-cyclopentyl-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile Openeye Name: 4-(3-butyl-7-cyclopentyl-2,6-dioxo-purin-8-yl)benzonitrile CAS Name: 4-(3-butyl-7-cyclopentyl-2,6-dioxo-8-purinyl)benzonitrile IUPAC Name: 4-(3-butyl-7-cyclopentyl-2,6-dioxopurin-8-yl)benzonitrile Traditional Name: 4-(3-butyl-7-cyclopentyl-2,6-diketo-purin-8-yl)benzonitrile Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)C4CCCC4

InChI

InChI=1S/C21H23N5O2/c1-2-3-12-25-19-17(20(27)24-21(25)28)26(16-6-4-5-7-16)18(23-19)15-10-8-14(13-22)9-11-15/h8-11,16H,2-7,12H2,1H3,(H,24,27,28)