N-(3-cyclopentyloxyphenyl)-3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanamide

Systemtic Name: N-(3-cyclopentyloxyphenyl)-3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanamide Openeye Name: N-[3-(cyclopentoxy)phenyl]-3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: N-(3-cyclopentyloxyphenyl)-3-(3,7-dibutyl-2,6-dioxo-8-purinyl)propanamide IUPAC Name: N-(3-cyclopentyloxyphenyl)-3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanamide Traditional Name: N-[3-(cyclopentoxy)phenyl]-3-(3,7-dibutyl-2,6-diketo-purin-8-yl)propionamide Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=CC=C3)OC4CCCC4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=CC=C3)OC4CCCC4

InChI

InChI=1S/C27H37N5O4/c1-3-5-16-31-22(29-25-24(31)26(34)30-27(35)32(25)17-6-4-2)14-15-23(33)28-19-10-9-13-21(18-19)36-20-11-7-8-12-20/h9-10,13,18,20H,3-8,11-12,14-17H2,1-2H3,(H,28,33)(H,30,34,35)