N-[4-[[3-(4-bromophenyl)-2-methyl-1-benzothiophen-6-yl]oxy]butyl]pyrimidin-4-amine

Systemtic Name: N-[4-[[3-(4-bromophenyl)-2-methyl-1-benzothiophen-6-yl]oxy]butyl]pyrimidin-4-amine Openeye Name: N-[4-[3-(4-bromophenyl)-2-methyl-benzothiophen-6-yl]oxybutyl]pyrimidin-4-amine CAS Name: N-[4-[[3-(4-bromophenyl)-2-methyl-1-benzothiophen-6-yl]oxy]butyl]-4-pyrimidinamine IUPAC Name: N-[4-[[3-(4-bromophenyl)-2-methyl-1-benzothiophen-6-yl]oxy]butyl]pyrimidin-4-amine Traditional Name: 4-[3-(4-bromophenyl)-2-methyl-benzothiophen-6-yl]oxybutyl-(4-pyrimidyl)amine Formula: C23H22BrN3OS MolecularWeight: 468.40928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=C(C=C2)OCCCCNC3=NC=NC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(S1)C=C(C=C2)OCCCCNC3=NC=NC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrN3OS/c1-16-23(17-4-6-18(24)7-5-17)20-9-8-19(14-21(20)29-16)28-13-3-2-11-26-22-10-12-25-15-27-22/h4-10,12,14-15H,2-3,11,13H2,1H3,(H,25,26,27)