4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-N-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-N-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-N-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-N-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N4O5S/c1-3-29-16-9-12(7-8-15(16)25)18-17(11(2)21-20(30)23-18)19(26)22-13-5-4-6-14(10-13)24(27)28/h4-10,18,25H,3H2,1-2H3,(H,22,26)(H2,21,23,30)