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

Systemtic Name: 3-tert-butyl-5-[cyclohexylmethyl-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[cyclohexylmethyl-[(1-isopropylsulfonyl-4-piperidyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[cyclohexylmethyl-[(1-propan-2-ylsulfonyl-4-piperidinyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[cyclohexylmethyl-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[cyclohexylmethyl-[(1-isopropylsulfonyl-4-piperidyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H44N6O3S MolecularWeight: 520.73096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCC(CC1)CN(CC2CCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)N1CCC(CC1)CN(CC2CCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C26H44N6O3S/c1-18(2)36(34,35)32-14-12-20(13-15-32)17-31(16-19-10-8-7-9-11-19)25-27-21-22(24(33)28-25)30(6)29-23(21)26(3,4)5/h18-20H,7-17H2,1-6H3,(H,27,28,33)