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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-propan-2-ylphenyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(3-isopropylphenyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(3-propan-2-ylphenyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(3-propan-2-ylphenyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-m-cumenyl-propionamide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)C(C)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)C(C)C)CC(C)C

InChI

InChI=1S/C25H35N5O3/c1-6-7-13-29-23-22(24(32)28-25(29)33)30(15-16(2)3)20(27-23)11-12-21(31)26-19-10-8-9-18(14-19)17(4)5/h8-10,14,16-17H,6-7,11-13,15H2,1-5H3,(H,26,31)(H,28,32,33)