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

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-11(2)16(13-8-6-5-7-9-13)21-10-14-22-18(24)15-12(3)17(20(25)26-4)27-19(15)23-14/h5-9,11,16,21H,10H2,1-4H3,(H,22,23,24)/p+1/t16-/m0/s1