4-(4-methoxy-3-nitro-phenyl)-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione

Systemtic Name: 4-(4-methoxy-3-nitro-phenyl)-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Openeye Name: 4-(4-methoxy-3-nitro-phenyl)-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: 4-(4-methoxy-3-nitrophenyl)-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione IUPAC Name: 4-(4-methoxy-3-nitrophenyl)-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Traditional Name: 4-(4-methoxy-3-nitro-phenyl)-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NC(=S)N2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2C=C(NC(=S)N2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-26-16-6-5-11(7-15(16)23(24)25)13-10-14(22-20(30)21-13)12-8-17(27-2)19(29-4)18(9-12)28-3/h5-10,13H,1-4H3,(H2,21,22,30)