3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione hydrochloride

Systemtic Name: 3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione hydrochloride Openeye Name: 3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione hydrochloride CAS Name: 3-[4-[4-[2-(propylthio)phenyl]-1-piperazinyl]butyl]-1H-quinazoline-2,4-dione hydrochloride IUPAC Name: 3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione hydrochloride Traditional Name: 3-[4-[4-[2-(propylthio)phenyl]piperazino]butyl]-1H-quinazoline-2,4-quinone hydrochloride Formula: C25H33ClN4O2S MolecularWeight: 489.07312

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4NC3=O.Cl

Isomeric SMILES

CCCSC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4NC3=O.Cl

InChI

InChI=1S/C25H32N4O2S.ClH/c1-2-19-32-23-12-6-5-11-22(23)28-17-15-27(16-18-28)13-7-8-14-29-24(30)20-9-3-4-10-21(20)26-25(29)31;/h3-6,9-12H,2,7-8,13-19H2,1H3,(H,26,31);1H