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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-2-(3-cyclopropyloxyphenoxy)-1-methyl-purin-6-one Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(2-chlorophenyl)methyl]-2-[3-(cyclopropoxy)phenoxy]-1-methyl-purin-6-one CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(2-chlorophenyl)methyl]-2-(3-cyclopropyloxyphenoxy)-1-methyl-6-purinone IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-2-(3-cyclopropyloxyphenoxy)-1-methylpurin-6-one Traditional Name: 8-[(3R)-3-aminopiperidino]-7-(2-chlorobenzyl)-2-[3-(cyclopropoxy)phenoxy]-1-methyl-purin-6-one Formula: C27H29ClN6O3 MolecularWeight: 521.01056

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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)OC6CC6

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)N4CCC[C@H](C4)N)N=C1OC5=CC(=CC=C5)OC6CC6

InChI

InChI=1S/C27H29ClN6O3/c1-32-25(35)23-24(31-27(32)37-21-9-4-8-20(14-21)36-19-11-12-19)30-26(33-13-5-7-18(29)16-33)34(23)15-17-6-2-3-10-22(17)28/h2-4,6,8-10,14,18-19H,5,7,11-13,15-16,29H2,1H3/t18-/m1/s1