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

Systemtic Name: methyl 4-chloranyl-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-chloro-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-chloro-3-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-chloro-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C20H14ClN3O2S MolecularWeight: 395.86206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H14ClN3O2S/c1-26-20(25)13-7-8-15(21)16(9-13)24-18-17-14(12-5-3-2-4-6-12)10-27-19(17)23-11-22-18/h2-11H,1H3,(H,22,23,24)