(5-chloranyl-2-nitro-phenyl)methyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (5-chloranyl-2-nitro-phenyl)methyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (5-chloro-2-nitro-phenyl)methyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (5-chloro-2-nitrophenyl)methyl ester IUPAC Name: (5-chloro-2-nitrophenyl)methyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (5-chloro-2-nitro-benzyl) ester Formula: C14H14ClN3O5S MolecularWeight: 371.79606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O5S/c1-7-12(10(5-19)17-14(24)16-7)13(20)23-6-8-4-9(15)2-3-11(8)18(21)22/h2-4,10,19H,5-6H2,1H3,(H2,16,17,24)