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

Systemtic Name: N-[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]methanesulfonamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S2/c1-12-16-11-14(23-13-4-3-5-15(10-13)25-29(2,26)27)6-7-18(16)28-19(12)17-8-9-22-20(21)24-17/h3-11,23,25H,1-2H3,(H2,21,22,24)