3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(2-keto-4,6-dimethyl-pyrimidin-1-yl)methyl]thiobenzamide Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CC2=CC=CC(=C2)C(=S)N)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC2=CC=CC(=C2)C(=S)N)C

InChI

InChI=1S/C14H15N3OS/c1-9-6-10(2)17(14(18)16-9)8-11-4-3-5-12(7-11)13(15)19/h3-7H,8H2,1-2H3,(H2,15,19)