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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(3S)-octan-3-yl]azanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-ethylhexyl]ammonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(3S)-octan-3-yl]ammonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(3S)-octan-3-yl]azanium Traditional Name: [(1S)-1-ethylhexyl]-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3OS/c1-5-7-8-9-13(6-2)18-10-14-19-16(21)15-11(3)12(4)22-17(15)20-14/h13,18H,5-10H2,1-4H3,(H,19,20,21)/p+1/t13-/m0/s1