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

Systemtic Name: 2-methylpropyl 4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: isobutyl 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 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 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 isobutyl ester hydrochloride Formula: C24H24ClN3O2S MolecularWeight: 453.98426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2S.ClH/c1-15(2)13-29-24(28)18-9-11-19(12-10-18)27-22-21-20(17-7-5-4-6-8-17)16(3)30-23(21)26-14-25-22;/h4-12,14-15H,13H2,1-3H3,(H,25,26,27);1H