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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-cyclopropyl-N-(2-thienylmethyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-cyclopropyl-N-(2-thenyl)propionamide Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(CC3=CC=CS3)C4CC4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(CC3=CC=CS3)C4CC4)CC(C)C

InChI

InChI=1S/C24H33N5O3S/c1-4-5-12-27-22-21(23(31)26-24(27)32)29(14-16(2)3)19(25-22)10-11-20(30)28(17-8-9-17)15-18-7-6-13-33-18/h6-7,13,16-17H,4-5,8-12,14-15H2,1-3H3,(H,26,31,32)