S-[[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]carbamothioyl] benzenecarbothioate

Systemtic Name: S-[[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]carbamothioyl] benzenecarbothioate Openeye Name: S-[[(2-amino-6-methyl-pyrimidin-4-yl)amino]carbamothioyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[(2-amino-6-methyl-4-pyrimidinyl)hydrazo]-sulfanylidenemethyl] ester IUPAC Name: S-[[(2-amino-6-methylpyrimidin-4-yl)amino]carbamothioyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[(2-amino-6-methyl-pyrimidin-4-yl)amino]thiocarbamoyl] ester Formula: C13H13N5OS2 MolecularWeight: 319.40522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NNC(=S)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=N1)N)NNC(=S)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13N5OS2/c1-8-7-10(16-12(14)15-8)17-18-13(20)21-11(19)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,20)(H3,14,15,16,17)