2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-methyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-methyl-N-(2-thenyl)acetamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)CC3=CC=CS3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)CC3=CC=CS3)N(C(=N2)CO)CCC

InChI

InChI=1S/C21H29N5O4S/c1-4-6-10-25-19-18(24(9-5-2)16(14-27)22-19)20(29)26(21(25)30)13-17(28)23(3)12-15-8-7-11-31-15/h7-8,11,27H,4-6,9-10,12-14H2,1-3H3