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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-phenoxy-purin-6-one Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-phenoxy-purin-6-one CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-phenoxy-6-purinone IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1-methyl-2-phenoxypurin-6-one Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(2-chlorobenzyl)-1-methyl-2-phenoxy-purin-6-one Formula: C24H25ClN6O2 MolecularWeight: 464.9473

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)N4CCCC(C4)N)N=C1OC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)N4CCC[C@H](C4)N)N=C1OC5=CC=CC=C5

InChI

InChI=1S/C24H25ClN6O2/c1-29-22(32)20-21(28-24(29)33-18-10-3-2-4-11-18)27-23(30-13-7-9-17(26)15-30)31(20)14-16-8-5-6-12-19(16)25/h2-6,8,10-12,17H,7,9,13-15,26H2,1H3/t17-/m1/s1