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

Systemtic Name: 2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-(2-methylbutyl)purin-2-yl]amino]ethanol Openeye Name: 2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-(2-methylbutyl)purin-2-yl]amino]ethanol CAS Name: 2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-(2-methylbutyl)-2-purinyl]amino]ethanol IUPAC Name: 2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-(2-methylbutyl)purin-2-yl]amino]ethanol Traditional Name: 2-[2-hydroxyethyl-[9-(2-methylbutyl)-6-(p-anisylamino)purin-2-yl]amino]ethanol Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CCO)CCO

Isomeric SMILES

CCC(C)CN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CCO)CCO

InChI

InChI=1S/C22H32N6O3/c1-4-16(2)14-28-15-24-19-20(23-13-17-5-7-18(31-3)8-6-17)25-22(26-21(19)28)27(9-11-29)10-12-30/h5-8,15-16,29-30H,4,9-14H2,1-3H3,(H,23,25,26)