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

Systemtic Name: 2-[5-(4-chloranyl-3-methyl-phenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[5-(4-chloro-3-methyl-phenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[5-(4-chloro-3-methylphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[5-(4-chloro-3-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[5-(4-chloro-3-methyl-phenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)O)C)Cl

InChI

InChI=1S/C16H13ClN2O3S/c1-8-5-10(3-4-11(8)17)13-9(2)23-15-14(13)16(22)19(7-18-15)6-12(20)21/h3-5,7H,6H2,1-2H3,(H,20,21)