2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-quinazolin-4-imine

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-quinazolin-4-imine Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-quinazolin-4-imine CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-4-quinazolinimine IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(2-chlorophenyl)methyl]-6,7-dimethoxyquinazolin-4-imine Traditional Name: [2-[(4-tert-butylbenzyl)thio]-3-(2-chlorobenzyl)-6,7-dimethoxy-quinazolin-4-ylidene]amine Formula: C28H30ClN3O2S MolecularWeight: 508.0747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC=CC=C4Cl)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC=CC=C4Cl)OC)OC

InChI

InChI=1S/C28H30ClN3O2S/c1-28(2,3)20-12-10-18(11-13-20)17-35-27-31-23-15-25(34-5)24(33-4)14-21(23)26(30)32(27)16-19-8-6-7-9-22(19)29/h6-15,30H,16-17H2,1-5H3