methyl 5-methyl-4-oxidanylidene-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

InChI=1S/C17H18N4O4S2/c1-4-5-9-6-11(22)21-17(18-9)26-7-10-19-14(23)12-8(2)13(16(24)25-3)27-15(12)20-10/h6H,4-5,7H2,1-3H3,(H,18,21,22)(H,19,20,23)