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

Systemtic Name: 2-azanyl-9-[2-(hydroxymethyl)-3-(pyridin-2-ylsulfanylmethyl)cyclopropyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-(hydroxymethyl)-3-(2-pyridylsulfanylmethyl)cyclopropyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-(hydroxymethyl)-3-[(2-pyridinylthio)methyl]cyclopropyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-(hydroxymethyl)-3-(pyridin-2-ylsulfanylmethyl)cyclopropyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-methylol-3-[(2-pyridylthio)methyl]cyclopropyl]-3H-purin-6-one Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2C(C2N3C=NC4=C3NC(=NC4=O)N)CO

Isomeric SMILES

C1=CC=NC(=C1)SCC2C(C2N3C=NC4=C3NC(=NC4=O)N)CO

InChI

InChI=1S/C15H16N6O2S/c16-15-19-13-11(14(23)20-15)18-7-21(13)12-8(5-22)9(12)6-24-10-3-1-2-4-17-10/h1-4,7-9,12,22H,5-6H2,(H3,16,19,20,23)