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

Systemtic Name: methyl 3-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: methyl 3-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 3-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid methyl ester hydrochloride Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC=CC(=C3)C(=O)OC.Cl

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC=CC(=C3)C(=O)OC.Cl

InChI

InChI=1S/C17H17N3O2S.ClH/c1-4-13-9-14-15(18-10(2)19-16(14)23-13)20-12-7-5-6-11(8-12)17(21)22-3;/h5-9H,4H2,1-3H3,(H,18,19,20);1H