ethyl 6-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H14N6O3S MolecularWeight: 334.35366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H14N6O3S/c1-2-22-11(20)8-5-16-12(21)18-9(8)6-23-13-17-4-7(3-14)10(15)19-13/h4H,2,5-6H2,1H3,(H2,15,17,19)(H2,16,18,21)