3-[2-oxidanylidene-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]quinazolin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]quinazolin-4-one Openeye Name: 3-[2-oxo-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-one CAS Name: 3-[2-oxo-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(3-pyridylsulfonyl)piperazino]ethyl]quinazolin-4-one Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C19H19N5O4S/c25-18(13-23-14-21-17-6-2-1-5-16(17)19(23)26)22-8-10-24(11-9-22)29(27,28)15-4-3-7-20-12-15/h1-7,12,14H,8-11,13H2