3-tert-butyl-5-[2-(4-cyclohexylcarbonylpiperazin-1-yl)ethyl-(2-methylpropyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-tert-butyl-5-[2-(4-cyclohexylcarbonylpiperazin-1-yl)ethyl-(2-methylpropyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl-isobutyl-amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]ethyl-(2-methylpropyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl-(2-methylpropyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[2-[4-(cyclohexanecarbonyl)piperazino]ethyl-isobutyl-amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H45N7O2 MolecularWeight: 499.6919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCN1CCN(CC1)C(=O)C2CCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

Isomeric SMILES

CC(C)CN(CCN1CCN(CC1)C(=O)C2CCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C27H45N7O2/c1-19(2)18-34(26-28-21-22(24(35)29-26)31(6)30-23(21)27(3,4)5)17-14-32-12-15-33(16-13-32)25(36)20-10-8-7-9-11-20/h19-20H,7-18H2,1-6H3,(H,28,29,35)