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

Systemtic Name: 3-[3-(2-fluoranyl-4-methoxy-phenyl)-4-methyl-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[7-anilino-3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[7-anilino-3-(2-fluoro-4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile IUPAC Name: 3-[7-anilino-3-(2-fluoro-4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[7-anilino-3-(2-fluoro-4-methoxy-phenyl)-2-keto-4-methyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Formula: C27H21FN6O2 MolecularWeight: 480.493043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21FN6O2/c1-17-22-16-30-26(31-19-8-4-3-5-9-19)32-25(22)34(20-10-6-7-18(13-20)15-29)27(35)33(17)24-12-11-21(36-2)14-23(24)28/h3-14,16-17H,1-2H3,(H,30,31,32)