2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(3-cyano-4-methyl-thiophen-2-yl)ethanamide

Systemtic Name: 2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(3-cyano-4-methyl-thiophen-2-yl)ethanamide Openeye Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(3-cyano-4-methyl-2-thienyl)acetamide CAS Name: 2-[4-[6-(3-bromoanilino)-4-pyrimidinyl]-1-piperazinyl]-N-(3-cyano-4-methyl-2-thiophenyl)acetamide IUPAC Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(3-cyano-4-methylthiophen-2-yl)acetamide Traditional Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazino]-N-(3-cyano-4-methyl-2-thienyl)acetamide Formula: C22H22BrN7OS MolecularWeight: 512.42538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CSC(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN7OS/c1-15-13-32-22(18(15)11-24)28-21(31)12-29-5-7-30(8-6-29)20-10-19(25-14-26-20)27-17-4-2-3-16(23)9-17/h2-4,9-10,13-14H,5-8,12H2,1H3,(H,28,31)(H,25,26,27)