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

Systemtic Name: 2-[3-[3-[3-(2,4-dichlorophenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-[7-anilino-3-(2,4-dichlorophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[7-anilino-3-(2,4-dichlorophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-[7-anilino-3-(2,4-dichlorophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[7-anilino-3-(2,4-dichlorophenyl)-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]propyl]isoindoline-1,3-quinone Formula: C35H26Cl2N6O3 MolecularWeight: 649.52534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC(=C4)CCCN5C(=O)C6=CC=CC=C6C5=O)NC7=CC=CC=C7

Isomeric SMILES

C1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC(=C4)CCCN5C(=O)C6=CC=CC=C6C5=O)NC7=CC=CC=C7

InChI

InChI=1S/C35H26Cl2N6O3/c36-24-15-16-30(29(37)19-24)42-21-23-20-38-34(39-25-10-2-1-3-11-25)40-31(23)43(35(42)46)26-12-6-8-22(18-26)9-7-17-41-32(44)27-13-4-5-14-28(27)33(41)45/h1-6,8,10-16,18-20H,7,9,17,21H2,(H,38,39,40)