(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C20H22N5OS+ MolecularWeight: 380.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H21N5OS/c1-13-16(14(2)25(23-13)15-7-5-4-6-8-15)11-24(3)12-18-21-17-9-10-27-19(17)20(26)22-18/h4-10H,11-12H2,1-3H3,(H,21,22,26)/p+1