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

Systemtic Name: 3-tert-butyl-5-[cyclohexylmethyl-[(1-cyclopropylcarbonylpiperidin-4-yl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[cyclohexylmethyl-[[1-(cyclopropanecarbonyl)-4-piperidyl]methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[cyclohexylmethyl-[[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[cyclohexylmethyl-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[cyclohexylmethyl-[[1-(cyclopropanecarbonyl)-4-piperidyl]methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H42N6O2 MolecularWeight: 482.66138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4CCN(CC4)C(=O)C5CC5)C

Isomeric SMILES

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4CCN(CC4)C(=O)C5CC5)C

InChI

InChI=1S/C27H42N6O2/c1-27(2,3)23-21-22(31(4)30-23)24(34)29-26(28-21)33(16-18-8-6-5-7-9-18)17-19-12-14-32(15-13-19)25(35)20-10-11-20/h18-20H,5-17H2,1-4H3,(H,28,29,34)