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

Systemtic Name: N-(6-methoxy-2-methyl-pyrimidin-4-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(6-methoxy-2-methyl-pyrimidin-4-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(6-methoxy-2-methyl-4-pyrimidinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(6-methoxy-2-methylpyrimidin-4-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(6-methoxy-2-methyl-pyrimidin-4-yl)-1H-quinazoline-2-carbothioamide Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O2S/c1-8-16-11(7-12(17-8)22-2)19-15(23)13-18-10-6-4-3-5-9(10)14(21)20-13/h3-7H,1-2H3,(H,18,20,21)(H,16,17,19,23)