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

Systemtic Name: 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-N-[(E)-(3-nitrophenyl)methyleneamino]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-N-[(E)-(3-nitrobenzylidene)amino]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)OC)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5S/c1-11-17(19(27)24-21-10-12-4-3-5-14(8-12)25(28)29)18(23-20(31)22-11)13-6-7-15(26)16(9-13)30-2/h3-10,18,26H,1-2H3,(H,24,27)(H2,22,23,31)/b21-10+