[(2R)-1-oxidanylbutan-2-yl]-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: [(2R)-1-oxidanylbutan-2-yl]-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-methylolpropyl]ammonium Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-2-12(9-21)18-8-14-19-16(22)15-13(10-23-17(15)20-14)11-6-4-3-5-7-11/h3-7,10,12,18,21H,2,8-9H2,1H3,(H,19,20,22)/p+1/t12-/m1/s1