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

Systemtic Name: 5-[cyclohexylmethyl-[(4-fluorophenyl)methyl]amino]-1-propan-2-yl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[cyclohexylmethyl-[(4-fluorophenyl)methyl]amino]-1-isopropyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[cyclohexylmethyl-[(4-fluorophenyl)methyl]amino]-1-propan-2-yl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[cyclohexylmethyl-[(4-fluorophenyl)methyl]amino]-1-propan-2-yl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[cyclohexylmethyl-(4-fluorobenzyl)amino]-1-isopropyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C25H34FN5O MolecularWeight: 439.568763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4=CC=C(C=C4)F)C(C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4=CC=C(C=C4)F)C(C)C

InChI

InChI=1S/C25H34FN5O/c1-4-8-21-22-23(31(29-21)17(2)3)24(32)28-25(27-22)30(15-18-9-6-5-7-10-18)16-19-11-13-20(26)14-12-19/h11-14,17-18H,4-10,15-16H2,1-3H3,(H,27,28,32)