4-methyl-N-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]piperazine-1-carboxamide

Systemtic Name: 4-methyl-N-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]piperazine-1-carboxamide Openeye Name: 4-methyl-N-[4-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide CAS Name: 4-methyl-N-[4-[[5-(3-thiophenyl)-2-pyrimidinyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: 4-methyl-N-[4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]piperazine-1-carboxamide Traditional Name: 4-methyl-N-[4-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CSC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CSC=C4

InChI

InChI=1S/C20H22N6OS/c1-25-7-9-26(10-8-25)20(27)24-18-4-2-17(3-5-18)23-19-21-12-16(13-22-19)15-6-11-28-14-15/h2-6,11-14H,7-10H2,1H3,(H,24,27)(H,21,22,23)