butyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride

Systemtic Name: butyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: butyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid butyl ester hydrochloride IUPAC Name: butyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid butyl ester hydrochloride Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S.ClH/c1-4-5-10-24-19(23)14-6-8-15(9-7-14)22-17-16-12(2)13(3)25-18(16)21-11-20-17;/h6-9,11H,4-5,10H2,1-3H3,(H,20,21,22);1H