1-[9-cyclopentyl-6-[(3,4-dimethoxyphenyl)methylamino]purin-2-yl]piperidin-3-ol

Systemtic Name: 1-[9-cyclopentyl-6-[(3,4-dimethoxyphenyl)methylamino]purin-2-yl]piperidin-3-ol Openeye Name: 1-[9-cyclopentyl-6-[(3,4-dimethoxyphenyl)methylamino]purin-2-yl]piperidin-3-ol CAS Name: 1-[9-cyclopentyl-6-[(3,4-dimethoxyphenyl)methylamino]-2-purinyl]-3-piperidinol IUPAC Name: 1-[9-cyclopentyl-6-[(3,4-dimethoxyphenyl)methylamino]purin-2-yl]piperidin-3-ol Traditional Name: 1-[9-cyclopentyl-6-(veratrylamino)purin-2-yl]piperidin-3-ol Formula: C24H32N6O3 MolecularWeight: 452.54928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)N5CCCC(C5)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)N5CCCC(C5)O)OC

InChI

InChI=1S/C24H32N6O3/c1-32-19-10-9-16(12-20(19)33-2)13-25-22-21-23(30(15-26-21)17-6-3-4-7-17)28-24(27-22)29-11-5-8-18(31)14-29/h9-10,12,15,17-18,31H,3-8,11,13-14H2,1-2H3,(H,25,27,28)