8-azanyl-2-(phenylmethylsulfanyl)-3,7-dihydropurin-6-one

Systemtic Name: 8-azanyl-2-(phenylmethylsulfanyl)-3,7-dihydropurin-6-one Openeye Name: 8-amino-2-benzylsulfanyl-3,7-dihydropurin-6-one CAS Name: 8-amino-2-(phenylmethylthio)-3,7-dihydropurin-6-one IUPAC Name: 8-amino-2-benzylsulfanyl-3,7-dihydropurin-6-one Traditional Name: 8-amino-2-(benzylthio)-3,7-dihydropurin-6-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=C(N3)N

InChI

InChI=1S/C12H11N5OS/c13-11-14-8-9(15-11)16-12(17-10(8)18)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)