2-[[9-cyclopentyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]-(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-[[9-cyclopentyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[[9-cyclopentyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[[9-cyclopentyl-6-[(4-methoxyphenyl)methylamino]-2-purinyl]-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[[9-cyclopentyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[[9-cyclopentyl-6-(p-anisylamino)purin-2-yl]-(2-hydroxyethyl)amino]ethanol Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)N(CCO)CCO

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)N(CCO)CCO

InChI

InChI=1S/C22H30N6O3/c1-31-18-8-6-16(7-9-18)14-23-20-19-21(28(15-24-19)17-4-2-3-5-17)26-22(25-20)27(10-12-29)11-13-30/h6-9,15,17,29-30H,2-5,10-14H2,1H3,(H,23,25,26)