[4-(7-chloranyl-2-thiophen-2-yl-quinazolin-4-yl)piperazin-1-yl]-cyclobutyl-methanone

Systemtic Name: [4-(7-chloranyl-2-thiophen-2-yl-quinazolin-4-yl)piperazin-1-yl]-cyclobutyl-methanone Openeye Name: [4-[7-chloro-2-(2-thienyl)quinazolin-4-yl]piperazin-1-yl]-cyclobutyl-methanone CAS Name: [4-(7-chloro-2-thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]-cyclobutylmethanone IUPAC Name: [4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]-cyclobutylmethanone Traditional Name: [4-[7-chloro-2-(2-thienyl)quinazolin-4-yl]piperazino]-cyclobutyl-methanone Formula: C21H21ClN4OS MolecularWeight: 412.93564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5=CC=CS5

Isomeric SMILES

C1CC(C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C21H21ClN4OS/c22-15-6-7-16-17(13-15)23-19(18-5-2-12-28-18)24-20(16)25-8-10-26(11-9-25)21(27)14-3-1-4-14/h2,5-7,12-14H,1,3-4,8-11H2