3-[3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[7-anilino-3-(4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[7-anilino-3-(4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile IUPAC Name: 3-[7-anilino-3-(4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[7-anilino-2-keto-3-(4-methoxyphenyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Formula: C27H22N6O2 MolecularWeight: 462.50258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CN=C(N=C2N(C(=O)N1C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C#N)NC5=CC=CC=C5

Isomeric SMILES

CC1C2=CN=C(N=C2N(C(=O)N1C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C#N)NC5=CC=CC=C5

InChI

InChI=1S/C27H22N6O2/c1-18-24-17-29-26(30-20-8-4-3-5-9-20)31-25(24)33(22-10-6-7-19(15-22)16-28)27(34)32(18)21-11-13-23(35-2)14-12-21/h3-15,17-18H,1-2H3,(H,29,30,31)