3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)-methyl-amino]propanoic acid

Systemtic Name: 3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)-methyl-amino]propanoic acid Openeye Name: 3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)-methyl-amino]propanoic acid CAS Name: 3-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)-methylamino]propanoic acid IUPAC Name: 3-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoic acid Traditional Name: 3-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)-methyl-amino]propionic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N(C)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N(C)CCC(=O)O)C

InChI

InChI=1S/C14H17N3O4S/c1-4-21-14(20)11-8(2)10-12(15-7-16-13(10)22-11)17(3)6-5-9(18)19/h7H,4-6H2,1-3H3,(H,18,19)