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

Systemtic Name: methyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: benzyl-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H19N3OS/c1-24(12-15-8-4-2-5-9-15)13-18-22-20(25)19-17(14-26-21(19)23-18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,22,23,25)/p+1