5-(4-bromophenyl)-N-(4-butoxyphenyl)thieno[2,3-d]pyrimidin-4-amine hydrochloride

Systemtic Name: 5-(4-bromophenyl)-N-(4-butoxyphenyl)thieno[2,3-d]pyrimidin-4-amine hydrochloride Openeye Name: 5-(4-bromophenyl)-N-(4-butoxyphenyl)thieno[2,3-d]pyrimidin-4-amine hydrochloride CAS Name: 5-(4-bromophenyl)-N-(4-butoxyphenyl)-4-thieno[2,3-d]pyrimidinamine hydrochloride IUPAC Name: 5-(4-bromophenyl)-N-(4-butoxyphenyl)thieno[2,3-d]pyrimidin-4-amine hydrochloride Traditional Name: [5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-(4-butoxyphenyl)amine hydrochloride Formula: C22H21BrClN3OS MolecularWeight: 490.84364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br.Cl

InChI

InChI=1S/C22H20BrN3OS.ClH/c1-2-3-12-27-18-10-8-17(9-11-18)26-21-20-19(13-28-22(20)25-14-24-21)15-4-6-16(23)7-5-15;/h4-11,13-14H,2-3,12H2,1H3,(H,24,25,26);1H