4-methyl-5-nitro-3-(phenylmethyl)-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-2-one

Systemtic Name: 4-methyl-5-nitro-3-(phenylmethyl)-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-2-one Openeye Name: 3-benzyl-4-methyl-5-nitro-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-2-one CAS Name: 4-methyl-5-nitro-3-(phenylmethyl)-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-2-one IUPAC Name: 3-benzyl-4-methyl-5-nitro-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-2-one Traditional Name: 3-benzyl-4-methyl-5-nitro-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-2-one Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-13-19(24(26)27)18(15-10-16(28-2)20(30-4)17(11-15)29-3)22-21(25)23(13)12-14-8-6-5-7-9-14/h5-11,18H,12H2,1-4H3,(H,22,25)