1-[4-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone CAS Name: 1-[4-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-benzoxy-5-methoxy-2-nitro-phenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-5-yl]ethanone Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2[N+](=O)[O-])OCC3=CC=CC=C3)OC)C(=O)C

Isomeric SMILES

CC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2[N+](=O)[O-])OCC3=CC=CC=C3)OC)C(=O)C

InChI

InChI=1S/C22H23N3O5S/c1-13-20(14(2)26)21(24-22(23-13)31-4)16-10-18(29-3)19(11-17(16)25(27)28)30-12-15-8-6-5-7-9-15/h5-11,21H,12H2,1-4H3,(H,23,24)