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

Systemtic Name: 3-tert-butyl-1-methyl-5-[2-methylpropyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[isobutyl-[(1-methylsulfonyl-4-piperidyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-1-methyl-5-[2-methylpropyl-[(1-methylsulfonyl-4-piperidinyl)methyl]amino]-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-1-methyl-5-[2-methylpropyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[isobutyl-[(1-mesyl-4-piperidyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H36N6O3S MolecularWeight: 452.61394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CCN(CC1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

Isomeric SMILES

CC(C)CN(CC1CCN(CC1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

InChI

InChI=1S/C21H36N6O3S/c1-14(2)12-26(13-15-8-10-27(11-9-15)31(7,29)30)20-22-16-17(19(28)23-20)25(6)24-18(16)21(3,4)5/h14-15H,8-13H2,1-7H3,(H,22,23,28)