3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-phenylmethoxypropyl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-phenylmethoxypropyl)propanamide Openeye Name: N-(3-benzyloxypropyl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(3-phenylmethoxypropyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(3-phenylmethoxypropyl)propanamide Traditional Name: N-(3-benzoxypropyl)-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionamide Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCCCOCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCCCOCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C26H37N5O4/c1-4-5-15-30-24-23(25(33)29-26(30)34)31(17-19(2)3)21(28-24)12-13-22(32)27-14-9-16-35-18-20-10-7-6-8-11-20/h6-8,10-11,19H,4-5,9,12-18H2,1-3H3,(H,27,32)(H,29,33,34)