3-[2,5-dimethyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[2,5-dimethyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[2,5-dimethyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[6-[anilino(oxo)methyl]-2,5-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[2,5-dimethyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-2,5-dimethyl-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S/c1-10-14-17(19-11(2)21(18(14)25)9-8-13(22)23)26-15(10)16(24)20-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,20,24)(H,22,23)/p-1