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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [3-(cyanomethyl)-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-thenyl)ammonium Formula: C21H19N4OS2+ MolecularWeight: 407.53176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C21H18N4OS2/c1-24(12-16-8-5-11-27-16)13-18-23-20-19(21(26)25(18)10-9-22)17(14-28-20)15-6-3-2-4-7-15/h2-8,11,14H,10,12-13H2,1H3/p+1