[5-(2-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptyl-azanium

Systemtic Name: [5-(2-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptyl-azanium Openeye Name: [5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptyl-ammonium CAS Name: [5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptylammonium IUPAC Name: [5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptylazanium Traditional Name: [5-(2-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptyl-ammonium Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

InChI

InChI=1S/C20H22ClN3OS/c21-16-10-6-5-9-14(16)15-12-26-20-18(15)19(25)23-17(24-20)11-22-13-7-3-1-2-4-8-13/h5-6,9-10,12-13,22H,1-4,7-8,11H2,(H,23,24,25)/p+1