ethyl 4-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2C

InChI

InChI=1S/C16H20N4O4S2/c1-3-24-16(23)20-7-5-19(6-8-20)12(21)10-26-15-17-13-11(4-9-25-13)14(22)18(15)2/h4,9H,3,5-8,10H2,1-2H3