1-adamantylmethyl-[(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Systemtic Name: 1-adamantylmethyl-[(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]ammonium CAS Name: 1-adamantylmethyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: 1-adamantylmethyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]ammonium Formula: C23H28N3OS2+ MolecularWeight: 426.61792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH2+]CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH2+]CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H27N3OS2/c1-13(24-12-23-8-14-5-15(9-23)7-16(6-14)10-23)20-25-21(27)19-17(11-29-22(19)26-20)18-3-2-4-28-18/h2-4,11,13-16,24H,5-10,12H2,1H3,(H,25,26,27)/p+1/t13-,14?,15?,16?,23?/m1/s1