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

Systemtic Name: 3-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)-methyl-amino]propanoic acid Openeye Name: 3-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propanoic acid CAS Name: 3-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]-methylamino]propanoic acid IUPAC Name: 3-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoic acid Traditional Name: 3-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]-methyl-amino]propionic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N(C)CCC(=O)O)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N(C)CCC(=O)O)C(=O)OC3CCCCC3

InChI

InChI=1S/C18H23N3O4S/c1-11-14-16(21(2)9-8-13(22)23)19-10-20-17(14)26-15(11)18(24)25-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,22,23)