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

Systemtic Name: ethyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: ethyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C16H17N3OS/c1-2-19(10-12-6-4-3-5-7-12)11-14-17-13-8-9-21-15(13)16(20)18-14/h3-9H,2,10-11H2,1H3,(H,17,18,20)/p+1