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

Systemtic Name: 9-[(2-methylsulfanylphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Openeye Name: 9-[(2-methylsulfanylphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one CAS Name: 9-[[2-(methylthio)phenyl]methyl]-2-[[(3S)-3-pyrrolidinyl]methylamino]-7H-purin-8-one IUPAC Name: 9-[(2-methylsulfanylphenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Traditional Name: 9-[2-(methylthio)benzyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CN2C3=NC(=NC=C3NC2=O)NCC4CCNC4

Isomeric SMILES

CSC1=CC=CC=C1CN2C3=NC(=NC=C3NC2=O)NC[C@H]4CCNC4

InChI

InChI=1S/C18H22N6OS/c1-26-15-5-3-2-4-13(15)11-24-16-14(22-18(24)25)10-21-17(23-16)20-9-12-6-7-19-8-12/h2-5,10,12,19H,6-9,11H2,1H3,(H,22,25)(H,20,21,23)/t12-/m0/s1