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

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-2-oxo-6-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-oxo-6-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=CN2CC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSC2=NN=CN2CC=C

InChI

InChI=1S/C14H19N5O3S/c1-4-6-19-8-15-18-14(19)23-7-10-11(12(20)22-5-2)9(3)16-13(21)17-10/h4,8-9H,1,5-7H2,2-3H3,(H2,16,17,21)/t9-/m0/s1