3-cycloheptyl-6,7-dimethoxy-2-(2-methylpropylsulfanyl)quinazolin-3-ium-4-amine

Systemtic Name: 3-cycloheptyl-6,7-dimethoxy-2-(2-methylpropylsulfanyl)quinazolin-3-ium-4-amine Openeye Name: 3-cycloheptyl-2-isobutylsulfanyl-6,7-dimethoxy-quinazolin-3-ium-4-amine CAS Name: 3-cycloheptyl-6,7-dimethoxy-2-(2-methylpropylthio)-4-quinazolin-3-iumamine IUPAC Name: 3-cycloheptyl-6,7-dimethoxy-2-(2-methylpropylsulfanyl)quinazolin-3-ium-4-amine Traditional Name: [3-cycloheptyl-2-(isobutylthio)-6,7-dimethoxy-quinazolin-3-ium-4-yl]amine Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=CC(=C(C=C2C(=[N+]1C3CCCCCC3)N)OC)OC

Isomeric SMILES

CC(C)CSC1=NC2=CC(=C(C=C2C(=[N+]1C3CCCCCC3)N)OC)OC

InChI

InChI=1S/C21H31N3O2S/c1-14(2)13-27-21-23-17-12-19(26-4)18(25-3)11-16(17)20(22)24(21)15-9-7-5-6-8-10-15/h11-12,14-15,22H,5-10,13H2,1-4H3/p+1