6-azanyl-2-(3-oxidanylpropylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(3-oxidanylpropylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(3-hydroxypropylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(3-hydroxypropylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(3-hydroxypropylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(3-hydroxypropylthio)-7H-purin-8-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCCO)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCCO)N)NC2=O

InChI

InChI=1S/C15H17N5O2S/c16-12-11-13(19-14(18-12)23-8-4-7-21)20(15(22)17-11)9-10-5-2-1-3-6-10/h1-3,5-6,21H,4,7-9H2,(H,17,22)(H2,16,18,19)