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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]CC(C)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C[C@H](C)O)C

InChI

InChI=1S/C12H17N3O2S/c1-6(16)4-13-5-9-14-11(17)10-7(2)8(3)18-12(10)15-9/h6,13,16H,4-5H2,1-3H3,(H,14,15,17)/p+1/t6-/m0/s1