8-azanyl-3-(phenylmethyl)-7H-purine-6-thione

Systemtic Name: 8-azanyl-3-(phenylmethyl)-7H-purine-6-thione Openeye Name: 8-amino-3-benzyl-7H-purine-6-thione CAS Name: 8-amino-3-(phenylmethyl)-7H-purine-6-thione IUPAC Name: 8-amino-3-benzyl-7H-purine-6-thione Traditional Name: 8-amino-3-benzyl-7H-purine-6-thione Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=S)C3=C2N=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=S)C3=C2N=C(N3)N

InChI

InChI=1S/C12H11N5S/c13-12-15-9-10(16-12)17(7-14-11(9)18)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,15,16)