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

Systemtic Name: 3-tert-butyl-5-[cyclohexylmethyl-[(3-morpholin-4-ylphenyl)methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[cyclohexylmethyl-[(3-morpholinophenyl)methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[cyclohexylmethyl-[[3-(4-morpholinyl)phenyl]methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[cyclohexylmethyl-[(3-morpholin-4-ylphenyl)methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[cyclohexylmethyl-(3-morpholinobenzyl)amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C29H42N6O2 MolecularWeight: 506.68278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C(C)(C)C)NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=CC=C4)N5CCOCC5

Isomeric SMILES

CCN1C2=C(C(=N1)C(C)(C)C)NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=CC=C4)N5CCOCC5

InChI

InChI=1S/C29H42N6O2/c1-5-35-25-24(26(32-35)29(2,3)4)30-28(31-27(25)36)34(19-21-10-7-6-8-11-21)20-22-12-9-13-23(18-22)33-14-16-37-17-15-33/h9,12-13,18,21H,5-8,10-11,14-17,19-20H2,1-4H3,(H,30,31,36)