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

Systemtic Name: 9-(naphthalen-2-ylmethyl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Openeye Name: 9-(2-naphthylmethyl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one CAS Name: 9-(2-naphthalenylmethyl)-2-[[(3S)-3-pyrrolidinyl]methylamino]-7H-purin-8-one IUPAC Name: 9-(naphthalen-2-ylmethyl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Traditional Name: 9-(2-naphthylmethyl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNC[C@H]1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H22N6O/c28-21-25-18-12-24-20(23-11-15-7-8-22-10-15)26-19(18)27(21)13-14-5-6-16-3-1-2-4-17(16)9-14/h1-6,9,12,15,22H,7-8,10-11,13H2,(H,25,28)(H,23,24,26)/t15-/m0/s1