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

Systemtic Name: dimethyl-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]ethyl]azanium Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]ethyl-dimethyl-ammonium Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

C[NH+](C)CCNCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C17H20N4OS/c1-21(2)9-8-18-10-14-19-16(22)15-13(11-23-17(15)20-14)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3,(H,19,20,22)/p+1