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

Systemtic Name: 9-[(2-ethynylphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Openeye Name: 9-[(2-ethynylphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one CAS Name: 9-[(2-ethynylphenyl)methyl]-2-[[(3S)-3-pyrrolidinyl]methylamino]-7H-purin-8-one IUPAC Name: 9-[(2-ethynylphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Traditional Name: 9-(2-ethynylbenzyl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1CN2C3=NC(=NC=C3NC2=O)NCC4CCNC4

Isomeric SMILES

C#CC1=CC=CC=C1CN2C3=NC(=NC=C3NC2=O)NC[C@H]4CCNC4

InChI

InChI=1S/C19H20N6O/c1-2-14-5-3-4-6-15(14)12-25-17-16(23-19(25)26)11-22-18(24-17)21-10-13-7-8-20-9-13/h1,3-6,11,13,20H,7-10,12H2,(H,23,26)(H,21,22,24)/t13-/m0/s1