4-(4-chloranyl-6-propyl-thieno[2,3-d]pyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(4-chloranyl-6-propyl-thieno[2,3-d]pyrimidin-2-yl)benzoic acid Openeye Name: 4-(4-chloro-6-propyl-thieno[2,3-d]pyrimidin-2-yl)benzoic acid CAS Name: 4-(4-chloro-6-propyl-2-thieno[2,3-d]pyrimidinyl)benzoic acid IUPAC Name: 4-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)benzoic acid Traditional Name: 4-(4-chloro-6-propyl-thieno[2,3-d]pyrimidin-2-yl)benzoic acid Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(S1)N=C(N=C2Cl)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=CC2=C(S1)N=C(N=C2Cl)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13ClN2O2S/c1-2-3-11-8-12-13(17)18-14(19-15(12)22-11)9-4-6-10(7-5-9)16(20)21/h4-8H,2-3H2,1H3,(H,20,21)