2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-6,7-dimethoxy-3-octyl-4-quinazolinimine IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octylquinazolin-4-imine Traditional Name: [2-[(2,5-dimethylbenzyl)thio]-6,7-dimethoxy-3-octyl-quinazolin-4-ylidene]amine Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=C(C=CC(=C3)C)C)OC)OC

Isomeric SMILES

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=C(C=CC(=C3)C)C)OC)OC

InChI

InChI=1S/C27H37N3O2S/c1-6-7-8-9-10-11-14-30-26(28)22-16-24(31-4)25(32-5)17-23(22)29-27(30)33-18-21-15-19(2)12-13-20(21)3/h12-13,15-17,28H,6-11,14,18H2,1-5H3