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

Systemtic Name: 6-azanyl-2-(2-azanylethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-2-(2-aminoethylsulfanyl)-9-benzyl-7H-purin-8-one CAS Name: 6-amino-2-(2-aminoethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-2-(2-aminoethylsulfanyl)-9-benzyl-7H-purin-8-one Traditional Name: 6-amino-2-(2-aminoethylthio)-9-benzyl-7H-purin-8-one Formula: C14H16N6OS MolecularWeight: 316.38144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6OS/c15-6-7-22-13-18-11(16)10-12(19-13)20(14(21)17-10)8-9-4-2-1-3-5-9/h1-5H,6-8,15H2,(H,17,21)(H2,16,18,19)