6,7-dimethoxy-3-(3-methoxypropyl)-2-(phenylmethylsulfanyl)quinazolin-4-imine

Systemtic Name: 6,7-dimethoxy-3-(3-methoxypropyl)-2-(phenylmethylsulfanyl)quinazolin-4-imine Openeye Name: 2-benzylsulfanyl-6,7-dimethoxy-3-(3-methoxypropyl)quinazolin-4-imine CAS Name: 6,7-dimethoxy-3-(3-methoxypropyl)-2-(phenylmethylthio)-4-quinazolinimine IUPAC Name: 2-benzylsulfanyl-6,7-dimethoxy-3-(3-methoxypropyl)quinazolin-4-imine Traditional Name: [2-(benzylthio)-6,7-dimethoxy-3-(3-methoxypropyl)quinazolin-4-ylidene]amine Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-25-11-7-10-24-20(22)16-12-18(26-2)19(27-3)13-17(16)23-21(24)28-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,22H,7,10-11,14H2,1-3H3