6-azanyl-2-(1-oxidanylpropylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(1-oxidanylpropylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(1-hydroxypropylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(1-hydroxypropylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(1-hydroxypropylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(1-hydroxypropylthio)-7H-purin-8-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)SC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCC(O)SC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H17N5O2S/c1-2-10(21)23-14-18-12(16)11-13(19-14)20(15(22)17-11)8-9-6-4-3-5-7-9/h3-7,10,21H,2,8H2,1H3,(H,17,22)(H2,16,18,19)