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

Systemtic Name: ethyl 2-[(1S)-1-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-[(4-amino-6-methyl-2-pyrimidinyl)thio]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-[(4-amino-6-methyl-pyrimidin-2-yl)thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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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)N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3S2/c1-5-25-16(24)12-8(3)11-14(23)21-13(22-15(11)27-12)9(4)26-17-19-7(2)6-10(18)20-17/h6,9H,5H2,1-4H3,(H2,18,19,20)(H,21,22,23)/t9-/m0/s1