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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NCC3=CC=CS3)N(C(=O)N(C2=O)C)C

InChI

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