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

Systemtic Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-imine Openeye Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-imine CAS Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methylthio]-3-(3-methoxypropyl)-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-imine Traditional Name: [6,7-dimethoxy-3-(3-methoxypropyl)-2-(p-anisylthio)quinazolin-4-ylidene]amine Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)OC)OC)OC

Isomeric SMILES

COCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H27N3O4S/c1-26-11-5-10-25-21(23)17-12-19(28-3)20(29-4)13-18(17)24-22(25)30-14-15-6-8-16(27-2)9-7-15/h6-9,12-13,23H,5,10-11,14H2,1-4H3