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

Systemtic Name: propan-2-yl 4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: isopropyl 4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 4-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 4-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid isopropyl ester hydrochloride Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H21N3O2S.ClH/c1-14(2)28-23(27)17-9-11-18(12-10-17)26-21-20-19(16-7-5-4-6-8-16)15(3)29-22(20)25-13-24-21;/h4-14H,1-3H3,(H,24,25,26);1H