S-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl] benzenecarbothioate

Systemtic Name: S-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl] benzenecarbothioate Openeye Name: S-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-amino-[(4,6-dimethyl-2-pyrimidinyl)imino]methyl] ester IUPAC Name: S-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)amidino] ester Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N=C(N)SC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)/N=C(\N)/SC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C14H14N4OS/c1-9-8-10(2)17-14(16-9)18-13(15)20-12(19)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18)