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

Systemtic Name: methyl 4-chloranyl-3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-chloro-3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-chloro-3-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-chloro-3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)C(=O)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)C(=O)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O2S/c1-12-17(13-6-4-3-5-7-13)18-19(23-11-24-20(18)28-12)25-16-10-14(21(26)27-2)8-9-15(16)22/h3-11H,1-2H3,(H,23,24,25)