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

Systemtic Name: 3-[3-(4-methoxyphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]propanenitrile Openeye Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]propanenitrile CAS Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]propanenitrile IUPAC Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]propanenitrile Traditional Name: 3-[7-anilino-2-keto-3-(4-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-1-yl]propionitrile Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O2/c1-30-19-10-8-18(9-11-19)28-15-16-14-24-21(25-17-6-3-2-4-7-17)26-20(16)27(22(28)29)13-5-12-23/h2-4,6-11,14H,5,13,15H2,1H3,(H,24,25,26)