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

Systemtic Name: ethyl (4R)-6-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C11H16N6O3S MolecularWeight: 312.34814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H16N6O3S/c1-3-20-8(18)7-5(2)13-10(19)14-6(7)4-21-11-15-9(12)16-17-11/h5H,3-4H2,1-2H3,(H2,13,14,19)(H3,12,15,16,17)/t5-/m1/s1