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

Systemtic Name: methyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6S/c1-6-10(13(19)23-3)11(16-14(24)15-6)7-4-8(17(20)21)12(18)9(5-7)22-2/h4-5,11,18H,1-3H3,(H2,15,16,24)