3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-mesylpiperazino)propyl]quinazolin-4-one Formula: C16H20N4O4S MolecularWeight: 364.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

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