ethyl (4R)-4-methyl-2-oxidanylidene-6-(1H-perimidin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-methyl-2-oxidanylidene-6-(1H-perimidin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-methyl-2-oxo-6-(1H-perimidin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-methyl-2-oxo-6-[(1H-perimidin-2-ylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-methyl-2-oxo-6-(1H-perimidin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-methyl-6-[(1H-perimidin-2-ylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C20H20N4O3S/c1-3-27-18(25)16-11(2)21-19(26)22-15(16)10-28-20-23-13-8-4-6-12-7-5-9-14(24-20)17(12)13/h4-9,11H,3,10H2,1-2H3,(H,23,24)(H2,21,22,26)/t11-/m1/s1