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

Systemtic Name: ethyl (4R)-2-oxidanylidene-6-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-6-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-oxo-6-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NN=CN3C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)CSC3=NN=CN3C(C)C

InChI

InChI=1S/C17H21N5O3S2/c1-4-25-15(23)13-11(8-27-17-21-18-9-22(17)10(2)3)19-16(24)20-14(13)12-6-5-7-26-12/h5-7,9-10,14H,4,8H2,1-3H3,(H2,19,20,24)/t14-/m0/s1