(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-methylolpropyl]ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=NC2=C(C(=C(S2)C)C)C(=O)N1

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=NC2=C(C(=C(S2)C)C)C(=O)N1

InChI

InChI=1S/C13H19N3O2S/c1-4-9(6-17)14-5-10-15-12(18)11-7(2)8(3)19-13(11)16-10/h9,14,17H,4-6H2,1-3H3,(H,15,16,18)/p+1/t9-/m1/s1