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

Systemtic Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-[(E)-(2,4-dimethoxyphenyl)methyleneamino]-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-[(E)-(2,4-dimethoxybenzylidene)amino]-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S/c1-12-18(19(24-21(32)23-12)13-5-4-6-15(9-13)26(28)29)20(27)25-22-11-14-7-8-16(30-2)10-17(14)31-3/h4-11,19H,1-3H3,(H,25,27)(H2,23,24,32)/b22-11+