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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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