8-methyl-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 8-methyl-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 8-methyl-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxo-ethyl]quinazolin-4-one CAS Name: 8-methyl-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-(4-mesyl-1,4-diazepan-1-yl)ethyl]-8-methyl-quinazolin-4-one Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O4S/c1-13-5-3-6-14-16(13)18-12-20(17(14)23)11-15(22)19-7-4-8-21(10-9-19)26(2,24)25/h3,5-6,12H,4,7-11H2,1-2H3