methyl N-[(6-azanyl-2-sulfanylidene-1H-pyrimidin-5-yl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(6-azanyl-2-sulfanylidene-1H-pyrimidin-5-yl)carbamothioyl]carbamate Openeye Name: methyl N-[(6-amino-2-thioxo-1H-pyrimidin-5-yl)carbamothioyl]carbamate CAS Name: N-[[(6-amino-2-sulfanylidene-1H-pyrimidin-5-yl)amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(6-amino-2-sulfanylidene-1H-pyrimidin-5-yl)carbamothioyl]carbamate Traditional Name: N-[(6-amino-2-thioxo-1H-pyrimidin-5-yl)thiocarbamoyl]carbamic acid methyl ester Formula: C7H9N5O2S2 MolecularWeight: 259.30866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(NC(=S)N=C1)N

Isomeric SMILES

COC(=O)NC(=S)NC1=C(NC(=S)N=C1)N

InChI

InChI=1S/C7H9N5O2S2/c1-14-7(13)12-6(16)10-3-2-9-5(15)11-4(3)8/h2H,1H3,(H3,8,9,11,15)(H2,10,12,13,16)