9-[(1R,2S)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one

Systemtic Name: 9-[(1R,2S)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Openeye Name: 9-[(1R,2S)-2-hydroxyindan-1-yl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one CAS Name: 9-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[(3R)-3-pyrrolidinyl]methylamino]-7H-purin-8-one IUPAC Name: 9-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Traditional Name: 9-[(1R,2S)-2-hydroxyindan-1-yl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)C4C(CC5=CC=CC=C45)O

Isomeric SMILES

C1CNC[C@@H]1CNC2=NC=C3C(=N2)N(C(=O)N3)[C@H]4[C@H](CC5=CC=CC=C45)O

InChI

InChI=1S/C19H22N6O2/c26-15-7-12-3-1-2-4-13(12)16(15)25-17-14(23-19(25)27)10-22-18(24-17)21-9-11-5-6-20-8-11/h1-4,10-11,15-16,20,26H,5-9H2,(H,23,27)(H,21,22,24)/t11-,15+,16-/m1/s1