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

Systemtic Name: 3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]-N-(2-methylphenyl)propanamide Openeye Name: 3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)-N-(o-tolyl)propanamide CAS Name: 3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)-N-(2-methylphenyl)propanamide IUPAC Name: 3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)-N-(2-methylphenyl)propanamide Traditional Name: 3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)-N-(o-tolyl)propionamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H29N5O3/c1-4-6-14-26-17(11-12-18(28)23-16-10-8-7-9-15(16)3)24-20-19(26)21(29)25-22(30)27(20)13-5-2/h7-10H,4-6,11-14H2,1-3H3,(H,23,28)(H,25,29,30)