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

Systemtic Name: 4-[2,4-bis(oxidanyl)phenyl]-6-methyl-N-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(2,4-dihydroxyphenyl)-6-methyl-N-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(2,4-dihydroxyphenyl)-6-methyl-N-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(2,4-dihydroxyphenyl)-6-methyl-N-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(2,4-dihydroxyphenyl)-6-methyl-N-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=C(C=C2)O)O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C=C(C=C2)O)O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-9-15(17(25)20-10-3-2-4-11(7-10)22(26)27)16(21-18(28)19-9)13-6-5-12(23)8-14(13)24/h2-8,16,23-24H,1H3,(H,20,25)(H2,19,21,28)