N-[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]ethanamide

Systemtic Name: N-[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]ethanamide Openeye Name: N-[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]acetamide CAS Name: N-[3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]acetamide IUPAC Name: N-[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]acetamide Traditional Name: N-[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)NC(=O)C)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)NC(=O)C)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H19N5OS/c1-12-17-11-16(25-15-5-3-4-14(10-15)24-13(2)27)6-7-19(17)28-20(12)18-8-9-23-21(22)26-18/h3-11,25H,1-2H3,(H,24,27)(H2,22,23,26)