2-[(3,4-dimethoxyphenyl)methylamino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylamino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(3,4-dimethoxyphenyl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3,4-dimethoxyphenyl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-(veratrylamino)-1H-pyrimidine-5-carbonitrile Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C21H20N4O4/c1-27-15-7-5-14(6-8-15)19-16(11-22)20(26)25-21(24-19)23-12-13-4-9-17(28-2)18(10-13)29-3/h4-10H,12H2,1-3H3,(H2,23,24,25,26)