(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1R)-1-phenylethyl]ammonium Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-11-15-17(23)20-14(21-18(15)26-16(11)19(24)25-4)10-22(3)12(2)13-8-6-5-7-9-13/h5-9,12H,10H2,1-4H3,(H,20,21,23)/p+1/t12-/m1/s1