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

Systemtic Name: 6-iodanyl-2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-(1-methyl-2-morpholino-2-oxo-ethyl)sulfanyl-quinazolin-4-one CAS Name: 6-iodo-2-[[1-(4-morpholinyl)-1-oxopropan-2-yl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(2-keto-1-methyl-2-morpholino-ethyl)thio]quinazolin-4-one Formula: C22H22IN3O3S MolecularWeight: 535.39785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCOCC1)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H22IN3O3S/c1-15(20(27)25-9-11-29-12-10-25)30-22-24-19-8-7-17(23)13-18(19)21(28)26(22)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3