6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-(oxiran-2-ylmethylsulfanyl)quinazolin-4-imine

Systemtic Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-(oxiran-2-ylmethylsulfanyl)quinazolin-4-imine Openeye Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-(oxiran-2-ylmethylsulfanyl)quinazolin-4-imine CAS Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-(2-oxiranylmethylthio)-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-(oxiran-2-ylmethylsulfanyl)quinazolin-4-imine Traditional Name: [2-(glycidylthio)-6,7-dimethoxy-3-p-anisyl-quinazolin-4-ylidene]amine Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4CO4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4CO4)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-25-14-6-4-13(5-7-14)10-24-20(22)16-8-18(26-2)19(27-3)9-17(16)23-21(24)29-12-15-11-28-15/h4-9,15,22H,10-12H2,1-3H3