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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptyl-azanium Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptyl-ammonium CAS Name: [3-(cyanomethyl)-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl-cycloheptylammonium IUPAC Name: [3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptylazanium Traditional Name: [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl-cycloheptyl-ammonium Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C22H24N4OS/c23-12-13-26-19(14-24-17-10-6-1-2-7-11-17)25-21-20(22(26)27)18(15-28-21)16-8-4-3-5-9-16/h3-5,8-9,15,17,24H,1-2,6-7,10-11,13-14H2/p+1