6,7-dimethoxy-3-octyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]quinazolin-4-imine

Systemtic Name: 6,7-dimethoxy-3-octyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]quinazolin-4-imine Openeye Name: 6,7-dimethoxy-3-octyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]quinazolin-4-imine CAS Name: 6,7-dimethoxy-3-octyl-2-[(2,4,6-trimethylphenyl)methylthio]-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-3-octyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]quinazolin-4-imine Traditional Name: [6,7-dimethoxy-3-octyl-2-[(2,4,6-trimethylbenzyl)thio]quinazolin-4-ylidene]amine Formula: C28H39N3O2S MolecularWeight: 481.69316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=C(C=C(C=C3C)C)C)OC)OC

Isomeric SMILES

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=C(C=C(C=C3C)C)C)OC)OC

InChI

InChI=1S/C28H39N3O2S/c1-7-8-9-10-11-12-13-31-27(29)22-16-25(32-5)26(33-6)17-24(22)30-28(31)34-18-23-20(3)14-19(2)15-21(23)4/h14-17,29H,7-13,18H2,1-6H3