4-azanyl-6-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 4-amino-6-[4-(1,3-dioxo-2-isoindolyl)phenyl]-2-(4-methoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(4-methoxyphenyl)-6-(4-phthalimidophenyl)pyrimidine-5-carbonitrile Formula: C26H17N5O3 MolecularWeight: 447.44488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=N2)N)C#N)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=N2)N)C#N)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H17N5O3/c1-34-18-12-8-16(9-13-18)24-29-22(21(14-27)23(28)30-24)15-6-10-17(11-7-15)31-25(32)19-4-2-3-5-20(19)26(31)33/h2-13H,1H3,(H2,28,29,30)