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

Systemtic Name: ethyl 6-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H16N6O4S/c1-2-26-15(24)12-10(8-28-17-20-7-9(6-18)14(19)23-17)21-16(25)22-13(12)11-4-3-5-27-11/h3-5,7,13H,2,8H2,1H3,(H2,19,20,23)(H2,21,22,25)