[[(4,6-dimethylpyrimidin-2-yl)amino]-phenylazanyl-methylidene]-(ethylcarbamothioyl)azanium

Systemtic Name: [[(4,6-dimethylpyrimidin-2-yl)amino]-phenylazanyl-methylidene]-(ethylcarbamothioyl)azanium Openeye Name: [anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-(ethylcarbamothioyl)ammonium CAS Name: [anilino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-[ethylamino(sulfanylidene)methyl]ammonium IUPAC Name: [anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-(ethylcarbamothioyl)azanium Traditional Name: [anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-(ethylthiocarbamoyl)ammonium Formula: C16H21N6S+ MolecularWeight: 329.44314

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)[NH+]=C(NC1=CC=CC=C1)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCNC(=S)[NH+]=C(NC1=CC=CC=C1)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H20N6S/c1-4-17-16(23)22-15(20-13-8-6-5-7-9-13)21-14-18-11(2)10-12(3)19-14/h5-10H,4H2,1-3H3,(H3,17,18,19,20,21,22,23)/p+1