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

Systemtic Name: methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 3-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid methyl ester hydrochloride Formula: C20H16ClN3O2S MolecularWeight: 397.87794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S.ClH/c1-25-20(24)14-8-5-9-15(10-14)23-18-17-16(13-6-3-2-4-7-13)11-26-19(17)22-12-21-18;/h2-12H,1H3,(H,21,22,23);1H