3-[5,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[5,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-(2-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-[5,6-dimethyl-4-oxo-2-(phenylmethyl)-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-(2-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CCC(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CCC(=O)O)C

InChI

InChI=1S/C18H18N2O3S/c1-11-12(2)24-17-16(11)18(23)20(9-8-15(21)22)14(19-17)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,21,22)