N-[8-cyclopentyl-2,6-bis(oxidanylidene)-3-phenethyl-1-propyl-purin-4-yl]cyclopentanecarboxamide

Systemtic Name: N-[8-cyclopentyl-2,6-bis(oxidanylidene)-3-phenethyl-1-propyl-purin-4-yl]cyclopentanecarboxamide Openeye Name: N-(8-cyclopentyl-2,6-dioxo-3-phenethyl-1-propyl-purin-4-yl)cyclopentanecarboxamide CAS Name: N-(8-cyclopentyl-2,6-dioxo-3-phenethyl-1-propyl-4-purinyl)cyclopentanecarboxamide IUPAC Name: N-(8-cyclopentyl-2,6-dioxo-3-phenethyl-1-propylpurin-4-yl)cyclopentanecarboxamide Traditional Name: N-(8-cyclopentyl-2,6-diketo-3-phenethyl-1-propyl-purin-4-yl)cyclopentanecarboxamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=NC(=NC2(N(C1=O)CCC3=CC=CC=C3)NC(=O)C4CCCC4)C5CCCC5

Isomeric SMILES

CCCN1C(=O)C2=NC(=NC2(N(C1=O)CCC3=CC=CC=C3)NC(=O)C4CCCC4)C5CCCC5

InChI

InChI=1S/C27H35N5O3/c1-2-17-31-25(34)22-27(30-24(33)21-14-8-9-15-21,29-23(28-22)20-12-6-7-13-20)32(26(31)35)18-16-19-10-4-3-5-11-19/h3-5,10-11,20-21H,2,6-9,12-18H2,1H3,(H,30,33)