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

Systemtic Name: ethyl 2-oxidanylidene-6-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 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 2-oxo-6-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=CN2CC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=CN2CC=C

InChI

InChI=1S/C13H17N5O3S/c1-3-5-18-8-15-17-13(18)22-7-10-9(11(19)21-4-2)6-14-12(20)16-10/h3,8H,1,4-7H2,2H3,(H2,14,16,20)