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

Systemtic Name: 3-tert-butyl-5-[cyclohexylmethyl-[(3-morpholin-4-ylphenyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[cyclohexylmethyl-[(3-morpholinophenyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[cyclohexylmethyl-[[3-(4-morpholinyl)phenyl]methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[cyclohexylmethyl-[(3-morpholin-4-ylphenyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[cyclohexylmethyl-(3-morpholinobenzyl)amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H40N6O2 MolecularWeight: 492.6562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=CC=C4)N5CCOCC5)C

Isomeric SMILES

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=CC=C4)N5CCOCC5)C

InChI

InChI=1S/C28H40N6O2/c1-28(2,3)25-23-24(32(4)31-25)26(35)30-27(29-23)34(18-20-9-6-5-7-10-20)19-21-11-8-12-22(17-21)33-13-15-36-16-14-33/h8,11-12,17,20H,5-7,9-10,13-16,18-19H2,1-4H3,(H,29,30,35)