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

Systemtic Name: 3-tert-butyl-5-[2-(4-cyclohexylcarbonylpiperazin-1-yl)ethyl-(cyclohexylmethyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl-(cyclohexylmethyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[cyclohexylmethyl-[2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]ethyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl-(cyclohexylmethyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[2-[4-(cyclohexanecarbonyl)piperazino]ethyl-(cyclohexylmethyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C30H49N7O2 MolecularWeight: 539.75576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CCN3CCN(CC3)C(=O)C4CCCCC4)CC5CCCCC5)C

Isomeric SMILES

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CCN3CCN(CC3)C(=O)C4CCCCC4)CC5CCCCC5)C

InChI

InChI=1S/C30H49N7O2/c1-30(2,3)26-24-25(34(4)33-26)27(38)32-29(31-24)37(21-22-11-7-5-8-12-22)20-17-35-15-18-36(19-16-35)28(39)23-13-9-6-10-14-23/h22-23H,5-21H2,1-4H3,(H,31,32,38)