2-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[4-[(5-bromo-2-thienyl)methyl]piperazino]methyl]-7-chloro-1H-quinazolin-4-one Formula: C18H18BrClN4OS MolecularWeight: 453.78372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Br)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Br)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H18BrClN4OS/c19-16-4-2-13(26-16)10-23-5-7-24(8-6-23)11-17-21-15-9-12(20)1-3-14(15)18(25)22-17/h1-4,9H,5-8,10-11H2,(H,21,22,25)