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

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(5-chloro-2-nitro-phenyl)ethyl 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 2-(5-chloro-2-nitrophenyl)ethyl ester IUPAC Name: 2-(5-chloro-2-nitrophenyl)ethyl 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 2-(5-chloro-2-nitro-phenyl)ethyl ester Formula: C15H16ClN3O5S MolecularWeight: 385.82264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O5S/c1-8-13(11(7-20)18-15(25)17-8)14(21)24-5-4-9-6-10(16)2-3-12(9)19(22)23/h2-3,6,11,20H,4-5,7H2,1H3,(H2,17,18,25)