[6-(4-chlorophenyl)-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl]methyl-cycloheptyl-azanium

Systemtic Name: [6-(4-chlorophenyl)-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl]methyl-cycloheptyl-azanium Openeye Name: [6-(4-chlorophenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl-cycloheptyl-ammonium CAS Name: [6-(4-chlorophenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl-cycloheptylammonium IUPAC Name: [6-(4-chlorophenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl-cycloheptylazanium Traditional Name: [6-(4-chlorophenyl)-4-keto-1H-thieno[3,2-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=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3OS/c21-14-9-7-13(8-10-14)17-11-16-19(26-17)20(25)24-18(23-16)12-22-15-5-3-1-2-4-6-15/h7-11,15,22H,1-6,12H2,(H,23,24,25)/p+1