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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CCC(CN2C3=NC=C4C(=N3)N(C=N4)C5CCCC5)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CCC(CN2C3=NC=C4C(=N3)N(C=N4)C5CCCC5)O)OC

InChI

InChI=1S/C24H32N6O3/c1-32-20-9-7-16(11-21(20)33-2)12-25-22-10-8-18(31)14-29(22)24-26-13-19-23(28-24)30(15-27-19)17-5-3-4-6-17/h7,9,11,13,15,17-18,22,25,31H,3-6,8,10,12,14H2,1-2H3