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

Systemtic Name: 4-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-1,2-diazinane-3,6-dione Openeye Name: 4-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylhexahydropyridazine-3,6-dione CAS Name: 4-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]diazinane-3,6-dione IUPAC Name: 4-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyldiazinane-3,6-dione Traditional Name: 4-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]hexahydropyridazine-3,6-quinone Formula: C19H15IN4O3S MolecularWeight: 506.31687

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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)N2CC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)NNC1=O)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C19H15IN4O3S/c20-12-6-7-14-13(8-12)18(27)24(10-11-4-2-1-3-5-11)19(21-14)28-15-9-16(25)22-23-17(15)26/h1-8,15H,9-10H2,(H,22,25)(H,23,26)