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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propyl-azanium Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propyl-ammonium CAS Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propylammonium IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propylazanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propyl-ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCC[NH2+]CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

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