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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-10(20)7-17-8-13-18-15(21)14-12(9-22-16(14)19-13)11-5-3-2-4-6-11/h2-6,9-10,17,20H,7-8H2,1H3,(H,18,19,21)/p+1/t10-/m0/s1