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

Systemtic Name: 1-adamantylmethyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: 1-adamantylmethyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium CAS Name: 1-adamantylmethyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: 1-adamantylmethyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Traditional Name: 1-adamantylmethyl-[(1S)-1-(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH2+]CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH2+]CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H31N3O3S/c1-4-29-22(28)18-12(2)17-20(27)25-19(26-21(17)30-18)13(3)24-11-23-8-14-5-15(9-23)7-16(6-14)10-23/h13-16,24H,4-11H2,1-3H3,(H,25,26,27)/p+1/t13-,14?,15?,16?,23?/m0/s1