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

Systemtic Name: 2-methylpropyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: isobutyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 4-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid isobutyl ester hydrochloride Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S.ClH/c1-15(2)12-28-23(27)17-8-10-18(11-9-17)26-21-20-19(16-6-4-3-5-7-16)13-29-22(20)25-14-24-21;/h3-11,13-15H,12H2,1-2H3,(H,24,25,26);1H