2-[2-[3-[3-(2,6-dimethylphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[3-[3-(2,6-dimethylphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-[7-anilino-3-(2,6-dimethylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-[7-anilino-3-(2,6-dimethylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-[7-anilino-3-(2,6-dimethylphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-[7-anilino-3-(2,6-dimethylphenyl)-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindoline-1,3-quinone Formula: C36H30N6O3 MolecularWeight: 594.6618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CC3=CN=C(N=C3N(C2=O)C4=CC=CC(=C4)CCN5C(=O)C6=CC=CC=C6C5=O)NC7=CC=CC=C7

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CC3=CN=C(N=C3N(C2=O)C4=CC=CC(=C4)CCN5C(=O)C6=CC=CC=C6C5=O)NC7=CC=CC=C7

InChI

InChI=1S/C36H30N6O3/c1-23-10-8-11-24(2)31(23)41-22-26-21-37-35(38-27-13-4-3-5-14-27)39-32(26)42(36(41)45)28-15-9-12-25(20-28)18-19-40-33(43)29-16-6-7-17-30(29)34(40)44/h3-17,20-21H,18-19,22H2,1-2H3,(H,37,38,39)