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

Systemtic Name: butyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: butyl 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 butyl ester hydrochloride IUPAC Name: butyl 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 butyl ester hydrochloride Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S.ClH/c1-2-3-13-28-23(27)17-9-11-18(12-10-17)26-21-20-19(16-7-5-4-6-8-16)14-29-22(20)25-15-24-21;/h4-12,14-15H,2-3,13H2,1H3,(H,24,25,26);1H