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

Systemtic Name: 6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]-3-octyl-quinazolin-4-imine Openeye Name: 6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]-3-octyl-quinazolin-4-imine CAS Name: 6,7-dimethoxy-2-[(3-methoxyphenyl)methylthio]-3-octyl-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]-3-octylquinazolin-4-imine Traditional Name: [2-(m-anisylthio)-6,7-dimethoxy-3-octyl-quinazolin-4-ylidene]amine Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S/c1-5-6-7-8-9-10-14-29-25(27)21-16-23(31-3)24(32-4)17-22(21)28-26(29)33-18-19-12-11-13-20(15-19)30-2/h11-13,15-17,27H,5-10,14,18H2,1-4H3