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

Systemtic Name: 2-adamantyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: 2-adamantyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium CAS Name: 2-adamantyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: 2-adamantyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Traditional Name: 2-adamantyl-[(1S)-1-(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH2+]C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH2+]C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C22H29N3O3S/c1-4-28-22(27)18-10(2)16-20(26)24-19(25-21(16)29-18)11(3)23-17-14-6-12-5-13(8-14)9-15(17)7-12/h11-15,17,23H,4-9H2,1-3H3,(H,24,25,26)/p+1/t11-,12?,13?,14?,15?,17?/m0/s1