N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(2-methyl-6-pyrrolidino-pyrimidin-4-yl)amino]phenyl]thiophene-2-carboxamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C20H21N5OS/c1-14-21-18(13-19(22-14)25-10-2-3-11-25)23-15-6-8-16(9-7-15)24-20(26)17-5-4-12-27-17/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,26)(H,21,22,23)