methyl 4-(4-methoxy-3-nitro-phenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-methoxy-3-nitro-phenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-isopropyl-4-(4-methoxy-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxy-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-isopropyl-4-(4-methoxy-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=S)N1)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=NC(=S)N1)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O5S/c1-8(2)13-12(15(20)24-4)14(18-16(25)17-13)9-5-6-11(23-3)10(7-9)19(21)22/h5-8H,1-4H3,(H,17,18,25)