5,7-dimethyl-6-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one

Systemtic Name: 5,7-dimethyl-6-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 5,7-dimethyl-6-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one CAS Name: 5,7-dimethyl-6-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-phenyl-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 5,7-dimethyl-6-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-phenylpyrrolo[3,4-d]pyridazin-4-one Traditional Name: 6-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)N3CCN(CC3)C4=NC=CC=N4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)N3CCN(CC3)C4=NC=CC=N4)C)C5=CC=CC=C5

InChI

InChI=1S/C26H29N7O2/c1-19-22-18-29-33(21-8-4-3-5-9-21)25(35)24(22)20(2)32(19)13-6-10-23(34)30-14-16-31(17-15-30)26-27-11-7-12-28-26/h3-5,7-9,11-12,18H,6,10,13-17H2,1-2H3