5-[[(2-methylphenyl)amino]methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[[(2-methylphenyl)amino]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(2-methylanilino)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(2-methylanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methylanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(o-toluidinomethyl)-2-thioxo-1H-pyrimidin-4-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=CNC(=S)NC2=O

Isomeric SMILES

CC1=CC=CC=C1NCC2=CNC(=S)NC2=O

InChI

InChI=1S/C12H13N3OS/c1-8-4-2-3-5-10(8)13-6-9-7-14-12(17)15-11(9)16/h2-5,7,13H,6H2,1H3,(H2,14,15,16,17)