4-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-1,2-diazinane-3,6-dione

Systemtic Name: 4-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-1,2-diazinane-3,6-dione Openeye Name: 4-(6-iodo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylhexahydropyridazine-3,6-dione CAS Name: 4-[(6-iodo-4-oxo-3-phenyl-2-quinazolinyl)thio]diazinane-3,6-dione IUPAC Name: 4-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanyldiazinane-3,6-dione Traditional Name: 4-[(6-iodo-4-keto-3-phenyl-quinazolin-2-yl)thio]hexahydropyridazine-3,6-quinone Formula: C18H13IN4O3S MolecularWeight: 492.29029

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NNC1=O)SC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)NNC1=O)SC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C18H13IN4O3S/c19-10-6-7-13-12(8-10)17(26)23(11-4-2-1-3-5-11)18(20-13)27-14-9-15(24)21-22-16(14)25/h1-8,14H,9H2,(H,21,24)(H,22,25)