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

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H23N4O4S+ MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-8(2)17-11(21)7-20(4)6-10-18-14(22)12-9(3)13(16(23)24-5)25-15(12)19-10/h8H,6-7H2,1-5H3,(H,17,21)(H,18,19,22)/p+1