3-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-quinazolin-4-imine

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-quinazolin-4-imine Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-quinazolin-4-imine CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2,5-dimethylphenyl)methylthio]-6,7-dimethoxy-4-quinazolinimine IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxyquinazolin-4-imine Traditional Name: [3-(3-chloro-4-methoxy-benzyl)-2-[(2,5-dimethylbenzyl)thio]-6,7-dimethoxy-quinazolin-4-ylidene]amine Formula: C27H28ClN3O3S MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC(=C(C=C4)OC)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC(=C(C=C4)OC)Cl)OC)OC

InChI

InChI=1S/C27H28ClN3O3S/c1-16-6-7-17(2)19(10-16)15-35-27-30-22-13-25(34-5)24(33-4)12-20(22)26(29)31(27)14-18-8-9-23(32-3)21(28)11-18/h6-13,29H,14-15H2,1-5H3