N-(4-methylpyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(4-methylpyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(4-methylpyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4-methyl-2-pyrimidinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4-methylpyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(4-methylpyrimidin-2-yl)-1H-quinazoline-2-carbothioamide Formula: C14H11N5OS MolecularWeight: 297.33504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H11N5OS/c1-8-6-7-15-14(16-8)19-13(21)11-17-10-5-3-2-4-9(10)12(20)18-11/h2-7H,1H3,(H,17,18,20)(H,15,16,19,21)