1,3-benzothiazol-2-yl N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate

Systemtic Name: 1,3-benzothiazol-2-yl N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)isothiourea CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)carbamimidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)isothiourea Formula: C14H13N5S2 MolecularWeight: 315.41652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N=C(N)SC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NC(=N1)N=C(N)SC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C14H13N5S2/c1-8-7-9(2)17-13(16-8)19-12(15)21-14-18-10-5-3-4-6-11(10)20-14/h3-7H,1-2H3,(H2,15,16,17,19)