3-cycloheptyl-6,7-dimethoxy-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-imine

Systemtic Name: 3-cycloheptyl-6,7-dimethoxy-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-imine Openeye Name: 3-cycloheptyl-6,7-dimethoxy-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-imine CAS Name: 3-cycloheptyl-6,7-dimethoxy-2-(2-oxanylmethylthio)-4-quinazolinimine IUPAC Name: 3-cycloheptyl-6,7-dimethoxy-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-imine Traditional Name: [3-cycloheptyl-6,7-dimethoxy-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-ylidene]amine Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3CCCCO3)C4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3CCCCO3)C4CCCCCC4)OC

InChI

InChI=1S/C23H33N3O3S/c1-27-20-13-18-19(14-21(20)28-2)25-23(30-15-17-11-7-8-12-29-17)26(22(18)24)16-9-5-3-4-6-10-16/h13-14,16-17,24H,3-12,15H2,1-2H3