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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-methyl-N-(3-phenoxypropyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-methyl-N-(3-phenoxypropyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-methyl-N-(3-phenoxypropyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-methyl-N-(3-phenoxypropyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-methyl-N-(3-phenoxypropyl)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)N(C)CCCOC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(C)CCCOC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C26H37N5O4/c1-5-6-16-30-24-23(25(33)28-26(30)34)31(18-19(2)3)21(27-24)13-14-22(32)29(4)15-10-17-35-20-11-8-7-9-12-20/h7-9,11-12,19H,5-6,10,13-18H2,1-4H3,(H,28,33,34)