3-[5-(4-chloranyl-3-methyl-phenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[5-(4-chloranyl-3-methyl-phenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-chloro-3-methyl-phenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-chloro-3-methylphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-chloro-3-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(4-chloro-3-methyl-phenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C17H14ClN2O3S- MolecularWeight: 361.82266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)N(C=N3)CCC(=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)N(C=N3)CCC(=O)[O-])C)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-9-7-11(3-4-12(9)18)14-10(2)24-16-15(14)17(23)20(8-19-16)6-5-13(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)/p-1