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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-(2-thenyl)acetamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H21N5O3S2/c1-4-7-22-13-14(20(2)17(25)21(3)15(13)24)19-16(22)27-10-12(23)18-9-11-6-5-8-26-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,18,23)