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

Systemtic Name: ethyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: ethyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-2-25(13-16-9-5-3-6-10-16)14-19-23-21(26)20-18(15-27-22(20)24-19)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,24,26)/p+1