N-(4-acetamidophenyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide

Systemtic Name: N-(4-acetamidophenyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide Openeye Name: N-(4-acetamidophenyl)-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanamide CAS Name: N-(4-acetamidophenyl)-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanamide IUPAC Name: N-(4-acetamidophenyl)-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanamide Traditional Name: N-(4-acetamidophenyl)-3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionamide Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C25H34N6O4/c1-4-6-8-16-30-20(28-23-22(30)24(34)29-25(35)31(23)15-7-5-2)13-14-21(33)27-19-11-9-18(10-12-19)26-17(3)32/h9-12H,4-8,13-16H2,1-3H3,(H,26,32)(H,27,33)(H,29,34,35)