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

Systemtic Name: 3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-quinazolinone IUPAC Name: 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]quinazolin-4-one Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H20N4O4S/c1-25(23,24)20-8-4-7-18(9-10-20)15(21)11-19-12-17-14-6-3-2-5-13(14)16(19)22/h2-3,5-6,12H,4,7-11H2,1H3