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

Systemtic Name: 3-[5-(4-chloranyl-3-methyl-phenyl)-2,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-chloro-3-methyl-phenyl)-2,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-chloro-3-methylphenyl)-2,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-chloro-3-methylphenyl)-2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(4-chloro-3-methyl-phenyl)-4-keto-2,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C18H16ClN2O3S- MolecularWeight: 375.84924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O3S/c1-9-8-12(4-5-13(9)19)15-10(2)25-17-16(15)18(24)21(11(3)20-17)7-6-14(22)23/h4-5,8H,6-7H2,1-3H3,(H,22,23)/p-1