N-[4,6-bis(chloranyl)pyrimidin-2-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[4,6-bis(chloranyl)pyrimidin-2-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(4,6-dichloropyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4,6-dichloro-2-pyrimidinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4,6-dichloropyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(4,6-dichloropyrimidin-2-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C13H7Cl2N5OS MolecularWeight: 352.19858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=CC(=N3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=CC(=N3)Cl)Cl

InChI

InChI=1S/C13H7Cl2N5OS/c14-8-5-9(15)18-13(17-8)20-12(22)10-16-7-4-2-1-3-6(7)11(21)19-10/h1-5H,(H,16,19,21)(H,17,18,20,22)