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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(2-thienylmethyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(2-thenyl)propionamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCC3=CC=CS3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCC3=CC=CS3)CC(C)C

InChI

InChI=1S/C21H29N5O3S/c1-4-5-10-25-19-18(20(28)24-21(25)29)26(13-14(2)3)16(23-19)8-9-17(27)22-12-15-7-6-11-30-15/h6-7,11,14H,4-5,8-10,12-13H2,1-3H3,(H,22,27)(H,24,28,29)