6-iodanyl-2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 6-iodanyl-2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 6-iodo-2-(1-methyl-2-morpholino-2-oxo-ethyl)sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 6-iodo-2-[[1-(4-morpholinyl)-1-oxopropan-2-yl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 6-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-phenylquinazolin-4-one Traditional Name: 6-iodo-2-[(2-keto-1-methyl-2-morpholino-ethyl)thio]-3-phenyl-quinazolin-4-one Formula: C21H20IN3O3S MolecularWeight: 521.37127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCOCC1)SC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H20IN3O3S/c1-14(19(26)24-9-11-28-12-10-24)29-21-23-18-8-7-15(22)13-17(18)20(27)25(21)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3