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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimethoxy-2-(phenylmethylsulfanyl)quinazolin-4-imine Openeye Name: 2-benzylsulfanyl-3-[(3-chloro-4-methoxy-phenyl)methyl]-6,7-dimethoxy-quinazolin-4-imine CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-(phenylmethylthio)-4-quinazolinimine IUPAC Name: 2-benzylsulfanyl-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-imine Traditional Name: [2-(benzylthio)-3-(3-chloro-4-methoxy-benzyl)-6,7-dimethoxy-quinazolin-4-ylidene]amine Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4=CC=CC=C4)OC)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4=CC=CC=C4)OC)OC)Cl

InChI

InChI=1S/C25H24ClN3O3S/c1-30-21-10-9-17(11-19(21)26)14-29-24(27)18-12-22(31-2)23(32-3)13-20(18)28-25(29)33-15-16-7-5-4-6-8-16/h4-13,27H,14-15H2,1-3H3