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

Systemtic Name: 3,5,7-trimethyl-6-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 3,5,7-trimethyl-6-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrrolo[3,4-d]pyridazin-4-one CAS Name: 3,5,7-trimethyl-6-phenyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 3,5,7-trimethyl-6-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrrolo[3,4-d]pyridazin-4-one Traditional Name: 3,5,7-trimethyl-6-phenyl-1-[4-[4-(2-pyrimidyl)piperazino]butoxy]pyrrolo[3,4-d]pyridazin-4-one Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCCCCN4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCCCCN4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C27H33N7O2/c1-20-23-24(21(2)34(20)22-10-5-4-6-11-22)26(35)31(3)30-25(23)36-19-8-7-14-32-15-17-33(18-16-32)27-28-12-9-13-29-27/h4-6,9-13H,7-8,14-19H2,1-3H3