8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-(3-propan-2-yloxyphenoxy)purin-6-one

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-(3-propan-2-yloxyphenoxy)purin-6-one Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(2-chlorophenyl)methyl]-2-(3-isopropoxyphenoxy)-1-methyl-purin-6-one CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-(3-propan-2-yloxyphenoxy)-6-purinone IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-(3-propan-2-yloxyphenoxy)purin-6-one Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(2-chlorobenzyl)-2-(3-isopropoxyphenoxy)-1-methyl-purin-6-one Formula: C27H31ClN6O3 MolecularWeight: 523.02644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCCC(C4)N)CC5=CC=CC=C5Cl

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCC[C@H](C4)N)CC5=CC=CC=C5Cl

InChI

InChI=1S/C27H31ClN6O3/c1-17(2)36-20-10-6-11-21(14-20)37-27-31-24-23(25(35)32(27)3)34(15-18-8-4-5-12-22(18)28)26(30-24)33-13-7-9-19(29)16-33/h4-6,8,10-12,14,17,19H,7,9,13,15-16,29H2,1-3H3/t19-/m1/s1