ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-(2-pyrimidinylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-(2-pyrimidylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=NC=CC=N3)C

InChI

InChI=1S/C16H16N4O3S2/c1-4-23-15(22)11-8(2)10-13(21)19-12(20-14(10)25-11)9(3)24-16-17-6-5-7-18-16/h5-7,9H,4H2,1-3H3,(H,19,20,21)/t9-/m0/s1