2-[(6-azanyl-7H-purin-8-yl)amino]ethyl carbamimidothioate

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)amino]ethyl carbamimidothioate Openeye Name: 2-[2-[(6-amino-7H-purin-8-yl)amino]ethyl]isothiourea CAS Name: carbamimidothioic acid 2-[(6-amino-7H-purin-8-yl)amino]ethyl ester IUPAC Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl carbamimidothioate Traditional Name: 2-[2-[(6-amino-7H-purin-8-yl)amino]ethyl]isothiourea Formula: C8H12N8S MolecularWeight: 252.29948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)NC(=N2)NCCSC(=N)N

Isomeric SMILES

C1=NC2=C(C(=N1)N)NC(=N2)NCCSC(=N)N

InChI

InChI=1S/C8H12N8S/c9-5-4-6(14-3-13-5)16-8(15-4)12-1-2-17-7(10)11/h3H,1-2H2,(H3,10,11)(H4,9,12,13,14,15,16)