2-methyl-2-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]propanoate

Systemtic Name: 2-methyl-2-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]propanoate Openeye Name: 2-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-2-methyl-propanoate CAS Name: 2-methyl-2-[[5-methyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]ammonio]propanoate IUPAC Name: 2-methyl-2-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]propanoate Traditional Name: 2-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-2-methyl-propionate Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]C(C)(C)C(=O)[O-])C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+]C(C)(C)C(=O)[O-])C(=O)OCC(C)C

InChI

InChI=1S/C16H21N3O4S/c1-8(2)6-23-14(20)11-9(3)10-12(17-7-18-13(10)24-11)19-16(4,5)15(21)22/h7-8H,6H2,1-5H3,(H,21,22)(H,17,18,19)