2-methoxyethyl 3-cyclopropyl-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3-cyclopropyl-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3-cyclopropyl-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-cyclopropyl-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C18H21N3O6S/c1-10-15(17(23)27-8-7-26-2)16(19-18(28)20(10)12-4-5-12)11-3-6-14(22)13(9-11)21(24)25/h3,6,9,12,16,22H,4-5,7-8H2,1-2H3,(H,19,28)