3,7-dimethyl-5-piperidin-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrido[3,4-d]pyridazine-1,4-dione

Systemtic Name: 3,7-dimethyl-5-piperidin-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrido[3,4-d]pyridazine-1,4-dione Openeye Name: 3,7-dimethyl-5-(1-piperidyl)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrido[3,4-d]pyridazine-1,4-dione CAS Name: 3,7-dimethyl-5-(1-piperidinyl)-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]pyrido[3,4-d]pyridazine-1,4-dione IUPAC Name: 3,7-dimethyl-5-piperidin-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrido[3,4-d]pyridazine-1,4-dione Traditional Name: 3,7-dimethyl-5-piperidino-2-[4-[4-(2-pyrimidyl)piperazino]butyl]pyrido[3,4-d]pyridazine-1,4-quinone Formula: C26H36N8O2 MolecularWeight: 492.61644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=C1)C(=O)N(N(C2=O)C)CCCCN3CCN(CC3)C4=NC=CC=N4)N5CCCCC5

Isomeric SMILES

CC1=NC(=C2C(=C1)C(=O)N(N(C2=O)C)CCCCN3CCN(CC3)C4=NC=CC=N4)N5CCCCC5

InChI

InChI=1S/C26H36N8O2/c1-20-19-21-22(23(29-20)32-12-4-3-5-13-32)25(36)30(2)34(24(21)35)14-7-6-11-31-15-17-33(18-16-31)26-27-9-8-10-28-26/h8-10,19H,3-7,11-18H2,1-2H3