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

Systemtic Name: methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C24H22N5OS+ MolecularWeight: 428.52938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C24H21N5OS/c1-28(14-17-13-25-29(15-17)19-10-6-3-7-11-19)16-22-26-23(30)20-12-21(31-24(20)27-22)18-8-4-2-5-9-18/h2-13,15H,14,16H2,1H3,(H,26,27,30)/p+1