2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-quinazolin-4-amine

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-quinazolin-4-amine Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-quinazolin-4-amine CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclohexyl-4-quinazolinamine IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexylquinazolin-4-amine Traditional Name: [2-[(3-chlorobenzyl)thio]quinazolin-4-yl]-cyclohexyl-amine Formula: C21H22ClN3S MolecularWeight: 383.93748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3S/c22-16-8-6-7-15(13-16)14-26-21-24-19-12-5-4-11-18(19)20(25-21)23-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2,(H,23,24,25)