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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4.Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H23N3O2S.ClH/c1-3-4-14-29-24(28)18-10-12-19(13-11-18)27-22-21-20(17-8-6-5-7-9-17)16(2)30-23(21)26-15-25-22;/h5-13,15H,3-4,14H2,1-2H3,(H,25,26,27);1H