N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]thiophene-3-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]thiophene-3-carboxamide Openeye Name: N-[4-methyl-3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide CAS Name: N-[4-methyl-3-[(4-pyridin-4-yl-2-pyrimidinyl)amino]phenyl]-3-thiophenecarboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]thiophene-3-carboxamide Traditional Name: N-[4-methyl-3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CSC=C2)NC3=NC=CC(=N3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CSC=C2)NC3=NC=CC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H17N5OS/c1-14-2-3-17(24-20(27)16-7-11-28-13-16)12-19(14)26-21-23-10-6-18(25-21)15-4-8-22-9-5-15/h2-13H,1H3,(H,24,27)(H,23,25,26)