2-azanyl-9-[2-(hydroxymethyl)-3-(pyridin-2-ylsulfanylmethyl)cyclobutyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-(hydroxymethyl)-3-(pyridin-2-ylsulfanylmethyl)cyclobutyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-(hydroxymethyl)-3-(2-pyridylsulfanylmethyl)cyclobutyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-(hydroxymethyl)-3-[(2-pyridinylthio)methyl]cyclobutyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-(hydroxymethyl)-3-(pyridin-2-ylsulfanylmethyl)cyclobutyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-methylol-3-[(2-pyridylthio)methyl]cyclobutyl]-3H-purin-6-one Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1N2C=NC3=C2NC(=NC3=O)N)CO)CSC4=CC=CC=N4

Isomeric SMILES

C1C(C(C1N2C=NC3=C2NC(=NC3=O)N)CO)CSC4=CC=CC=N4

InChI

InChI=1S/C16H18N6O2S/c17-16-20-14-13(15(24)21-16)19-8-22(14)11-5-9(10(11)6-23)7-25-12-3-1-2-4-18-12/h1-4,8-11,23H,5-7H2,(H3,17,20,21,24)