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

Systemtic Name: ethyl 4-(5-methylfuran-2-yl)-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]-4-(5-methyl-2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-methyl-2-furanyl)-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 4-(5-methylfuran-2-yl)-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-4-(5-methyl-2-furyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)CSC3=NN=CN3CC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)CSC3=NN=CN3CC=C

InChI

InChI=1S/C18H21N5O4S/c1-4-8-23-10-19-22-18(23)28-9-12-14(16(24)26-5-2)15(21-17(25)20-12)13-7-6-11(3)27-13/h4,6-7,10,15H,1,5,8-9H2,2-3H3,(H2,20,21,25)