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

Systemtic Name: 2-azanyl-8-(phenylmethylsulfanyl)-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-benzylsulfanyl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-(phenylmethylthio)-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-benzylsulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-(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=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

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