(4-azanylpyrimidin-2-yl)methyl carbamimidothioate

Systemtic Name: (4-azanylpyrimidin-2-yl)methyl carbamimidothioate Openeye Name: 2-[(4-aminopyrimidin-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-amino-2-pyrimidinyl)methyl ester IUPAC Name: (4-aminopyrimidin-2-yl)methyl carbamimidothioate Traditional Name: 2-[(4-aminopyrimidin-2-yl)methyl]isothiourea Formula: C6H9N5S MolecularWeight: 183.23416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1N)CSC(=N)N

Isomeric SMILES

C1=CN=C(N=C1N)CSC(=N)N

InChI

InChI=1S/C6H9N5S/c7-4-1-2-10-5(11-4)3-12-6(8)9/h1-2H,3H2,(H3,8,9)(H2,7,10,11)