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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)N(C1=O)N3CCNCC3C4=CC=CC=C4SCCC.Cl

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)N(C1=O)N3CCNCC3C4=CC=CC=C4SCCC.Cl

InChI

InChI=1S/C25H32N4O2S.ClH/c1-3-5-15-27-21-12-8-6-11-20(21)24(30)29(25(27)31)28-16-14-26-18-22(28)19-10-7-9-13-23(19)32-17-4-2;/h6-13,22,26H,3-5,14-18H2,1-2H3;1H