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

Systemtic Name: ethyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: ethyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 3-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid ethyl ester hydrochloride Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H19N3O2S.ClH/c1-3-27-22(26)16-10-7-11-17(12-16)25-20-19-18(15-8-5-4-6-9-15)14(2)28-21(19)24-13-23-20;/h4-13H,3H2,1-2H3,(H,23,24,25);1H