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

Systemtic Name: 4-[6-chloranyl-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoic acid Openeye Name: 4-[6-chloro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoic acid CAS Name: 4-[6-chloro-4-(phenethylamino)-2-thieno[2,3-d]pyrimidinyl]benzoic acid IUPAC Name: 4-[6-chloro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoic acid Traditional Name: 4-[6-chloro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]benzoic acid Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C3C=C(SC3=NC(=N2)C4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C3C=C(SC3=NC(=N2)C4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C21H16ClN3O2S/c22-17-12-16-19(23-11-10-13-4-2-1-3-5-13)24-18(25-20(16)28-17)14-6-8-15(9-7-14)21(26)27/h1-9,12H,10-11H2,(H,26,27)(H,23,24,25)