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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-oxidanylpentyl)azanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-hydroxypentyl)ammonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-hydroxypentyl)ammonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-hydroxypentyl)azanium Traditional Name: 5-hydroxypentyl-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-9-10(2)20-14-12(9)13(19)16-11(17-14)8-15-6-4-3-5-7-18/h15,18H,3-8H2,1-2H3,(H,16,17,19)/p+1