cycloheptyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Systemtic Name: cycloheptyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: cycloheptyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium CAS Name: cycloheptyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: cycloheptyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Traditional Name: [(1S)-1-(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-cycloheptyl-ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH2+]C3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH2+]C3CCCCCC3)C

InChI

InChI=1S/C19H27N3O3S/c1-4-25-19(24)15-11(2)14-17(23)21-16(22-18(14)26-15)12(3)20-13-9-7-5-6-8-10-13/h12-13,20H,4-10H2,1-3H3,(H,21,22,23)/p+1/t12-/m0/s1