N-(5-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(5-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(4-hydroxy-6-keto-5-methyl-1H-pyrimidin-2-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(NC1=O)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)O

Isomeric SMILES

CC1=C(N=C(NC1=O)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)O

InChI

InChI=1S/C14H11N5O3S/c1-6-10(20)17-14(18-11(6)21)19-13(23)9-15-8-5-3-2-4-7(8)12(22)16-9/h2-5H,1H3,(H,15,16,22)(H3,17,18,19,20,21,23)