4-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]butanenitrile

Systemtic Name: 4-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]butanenitrile Openeye Name: 4-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propyl-purin-3-yl)butanenitrile CAS Name: 4-[8-cyclopentyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]butanenitrile IUPAC Name: 4-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propylpurin-3-yl)butanenitrile Traditional Name: 4-(7-benzyl-8-cyclopentyl-2,6-diketo-1-propyl-purin-3-yl)butyronitrile Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC#N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC#N

InChI

InChI=1S/C24H29N5O2/c1-2-15-28-23(30)20-22(27(24(28)31)16-9-8-14-25)26-21(19-12-6-7-13-19)29(20)17-18-10-4-3-5-11-18/h3-5,10-11,19H,2,6-9,12-13,15-17H2,1H3