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

Systemtic Name: N-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(2-methyl-4-oxo-1H-pyrimidin-6-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(2-methyl-4-oxo-1H-pyrimidin-6-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(2-methyl-4-oxo-1H-pyrimidin-6-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(4-keto-2-methyl-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O2S/c1-7-15-10(6-11(20)16-7)18-14(22)12-17-9-5-3-2-4-8(9)13(21)19-12/h2-6H,1H3,(H,17,19,21)(H2,15,16,18,20,22)