N-(4-chloranyl-6-methyl-pyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(4-chloranyl-6-methyl-pyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(4-chloro-6-methyl-pyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4-chloro-6-methyl-2-pyrimidinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4-chloro-6-methylpyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(4-chloro-6-methyl-pyrimidin-2-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C14H10ClN5OS MolecularWeight: 331.7801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C14H10ClN5OS/c1-7-6-10(15)18-14(16-7)20-13(22)11-17-9-5-3-2-4-8(9)12(21)19-11/h2-6H,1H3,(H,17,19,21)(H,16,18,20,22)