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

Systemtic Name: ethyl 6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O3S/c1-2-31-21(29)17-13-24-22(30)25-18(17)14-32-23-26-19(15-9-5-3-6-10-15)20(27-28-23)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,24,25,30)