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

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]azanium Openeye Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]ammonium Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C(C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+][C@@H](C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H19N3O3S/c1-10-14-16(22)20-13(21-17(14)25-15(10)18(23)24-3)9-19-11(2)12-7-5-4-6-8-12/h4-8,11,19H,9H2,1-3H3,(H,20,21,22)/p+1/t11-/m0/s1