6,7-dimethoxy-3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 6,7-dimethoxy-3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]-4-quinazolinone IUPAC Name: 6,7-dimethoxy-3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-mesylpiperazino)propyl]-6,7-dimethoxy-quinazolin-4-one Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C18H24N4O6S/c1-27-15-10-13-14(11-16(15)28-2)19-12-21(18(13)24)5-4-17(23)20-6-8-22(9-7-20)29(3,25)26/h10-12H,4-9H2,1-3H3