6-bromanyl-3-(3-ethoxypropyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(3-ethoxypropyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-(3-ethoxypropyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-(3-ethoxypropyl)-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 6-bromo-3-(3-ethoxypropyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 6-bromo-3-(3-ethoxypropyl)-2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]quinazolin-4-one Formula: C20H27BrN4O3S MolecularWeight: 483.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H27BrN4O3S/c1-3-28-12-4-7-25-19(27)16-13-15(21)5-6-17(16)22-20(25)29-14-18(26)24-10-8-23(2)9-11-24/h5-6,13H,3-4,7-12,14H2,1-2H3