2-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]-1-benzothiophene-5-carbonitrile

Systemtic Name: 2-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]-1-benzothiophene-5-carbonitrile Openeye Name: 2-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]benzothiophene-5-carbonitrile CAS Name: 2-[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]-1-benzothiophene-5-carbonitrile IUPAC Name: 2-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]-1-benzothiophene-5-carbonitrile Traditional Name: 2-[5-methyl-2-[4-(2-pyrrolidinoethoxy)anilino]pyrimidin-4-yl]benzothiophene-5-carbonitrile Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC3=C(S2)C=CC(=C3)C#N)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC3=C(S2)C=CC(=C3)C#N)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C26H25N5OS/c1-18-17-28-26(30-25(18)24-15-20-14-19(16-27)4-9-23(20)33-24)29-21-5-7-22(8-6-21)32-13-12-31-10-2-3-11-31/h4-9,14-15,17H,2-3,10-13H2,1H3,(H,28,29,30)