(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-phenethyl-ammonium CAS Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-phenethylazanium Traditional Name: benzyl-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-phenethyl-ammonium Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C22H21N3OS/c26-22-21-19(12-14-27-21)23-20(24-22)16-25(15-18-9-5-2-6-10-18)13-11-17-7-3-1-4-8-17/h1-10,12,14H,11,13,15-16H2,(H,23,24,26)/p+1