6-chloranyl-3-(2-methylpropyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-3-isobutyl-quinazolin-4-one CAS Name: 6-chloro-3-(2-methylpropyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-6-chloro-3-isobutyl-quinazolin-4-one Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O2S/c1-18(2)15-30-24(32)21-14-20(26)8-9-22(21)27-25(30)33-17-23(31)29-12-10-28(11-13-29)16-19-6-4-3-5-7-19/h3-9,14,18H,10-13,15-17H2,1-2H3