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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propyl-azanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propyl-ammonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propylammonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propylazanium Traditional Name: (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-propyl-ammonium Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3OS/c1-4-5-13-6-9-14-11(16)10-7(2)8(3)17-12(10)15-9/h13H,4-6H2,1-3H3,(H,14,15,16)/p+1