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

Systemtic Name: ethyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: ethyl 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 ethyl ester hydrochloride IUPAC Name: ethyl 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 ethyl ester hydrochloride Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S.ClH/c1-2-26-21(25)15-9-6-10-16(11-15)24-19-18-17(14-7-4-3-5-8-14)12-27-20(18)23-13-22-19;/h3-13H,2H2,1H3,(H,22,23,24);1H