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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-2-(3-ethoxyphenoxy)-1-methyl-purin-6-one Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(2-chlorophenyl)methyl]-2-(3-ethoxyphenoxy)-1-methyl-purin-6-one CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(2-chlorophenyl)methyl]-2-(3-ethoxyphenoxy)-1-methyl-6-purinone IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-2-(3-ethoxyphenoxy)-1-methylpurin-6-one Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(2-chlorobenzyl)-2-(3-ethoxyphenoxy)-1-methyl-purin-6-one Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCCC(C4)N)CC5=CC=CC=C5Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCC[C@H](C4)N)CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H29ClN6O3/c1-3-35-19-10-6-11-20(14-19)36-26-30-23-22(24(34)31(26)2)33(15-17-8-4-5-12-21(17)27)25(29-23)32-13-7-9-18(28)16-32/h4-6,8,10-12,14,18H,3,7,9,13,15-16,28H2,1-2H3/t18-/m1/s1