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

Systemtic Name: 3,7-dimethyl-2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5-piperidin-1-yl-pyrido[3,4-d]pyridazine-1,4-dione Openeye Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,7-dimethyl-5-(1-piperidyl)pyrido[3,4-d]pyridazine-1,4-dione CAS Name: 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-3,7-dimethyl-5-(1-piperidinyl)pyrido[3,4-d]pyridazine-1,4-dione IUPAC Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,7-dimethyl-5-piperidin-1-ylpyrido[3,4-d]pyridazine-1,4-dione Traditional Name: 2-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]-3,7-dimethyl-5-piperidino-pyrido[3,4-d]pyridazine-1,4-quinone Formula: C25H34N8O3 MolecularWeight: 494.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=C1)C(=O)N(N(C2=O)C)CC(CN3CCN(CC3)C4=NC=CC=N4)O)N5CCCCC5

Isomeric SMILES

CC1=NC(=C2C(=C1)C(=O)N(N(C2=O)C)CC(CN3CCN(CC3)C4=NC=CC=N4)O)N5CCCCC5

InChI

InChI=1S/C25H34N8O3/c1-18-15-20-21(22(28-18)31-9-4-3-5-10-31)24(36)29(2)33(23(20)35)17-19(34)16-30-11-13-32(14-12-30)25-26-7-6-8-27-25/h6-8,15,19,34H,3-5,9-14,16-17H2,1-2H3