9-[(3-phenoxyphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one

Systemtic Name: 9-[(3-phenoxyphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Openeye Name: 9-[(3-phenoxyphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one CAS Name: 9-[(3-phenoxyphenyl)methyl]-2-[[(3S)-3-pyrrolidinyl]methylamino]-7H-purin-8-one IUPAC Name: 9-[(3-phenoxyphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Traditional Name: 9-(3-phenoxybenzyl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CNC[C@H]1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H24N6O2/c30-23-27-20-14-26-22(25-13-17-9-10-24-12-17)28-21(20)29(23)15-16-5-4-8-19(11-16)31-18-6-2-1-3-7-18/h1-8,11,14,17,24H,9-10,12-13,15H2,(H,27,30)(H,25,26,28)/t17-/m0/s1