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

Systemtic Name: 5-[cyclohexylmethyl-[(3-morpholin-4-ylphenyl)methyl]amino]-3-cyclopentyl-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[cyclohexylmethyl-[(3-morpholinophenyl)methyl]amino]-3-cyclopentyl-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[cyclohexylmethyl-[[3-(4-morpholinyl)phenyl]methyl]amino]-3-cyclopentyl-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[cyclohexylmethyl-[(3-morpholin-4-ylphenyl)methyl]amino]-3-cyclopentyl-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[cyclohexylmethyl-(3-morpholinobenzyl)amino]-3-cyclopentyl-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C30H42N6O2 MolecularWeight: 518.69348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C3CCCC3)NC(=NC2=O)N(CC4CCCCC4)CC5=CC(=CC=C5)N6CCOCC6

Isomeric SMILES

CCN1C2=C(C(=N1)C3CCCC3)NC(=NC2=O)N(CC4CCCCC4)CC5=CC(=CC=C5)N6CCOCC6

InChI

InChI=1S/C30H42N6O2/c1-2-36-28-27(26(33-36)24-12-6-7-13-24)31-30(32-29(28)37)35(20-22-9-4-3-5-10-22)21-23-11-8-14-25(19-23)34-15-17-38-18-16-34/h8,11,14,19,22,24H,2-7,9-10,12-13,15-18,20-21H2,1H3,(H,31,32,37)