cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](CC3=CC=C(C=C3)C(C)C)C4CC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](CC3=CC=C(C=C3)C(C)C)C4CC4)C(=O)OC

InChI

InChI=1S/C23H27N3O3S/c1-13(2)16-7-5-15(6-8-16)11-26(17-9-10-17)12-18-24-21(27)19-14(3)20(23(28)29-4)30-22(19)25-18/h5-8,13,17H,9-12H2,1-4H3,(H,24,25,27)/p+1