N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]thiophene-2-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N5O2S/c27-19(18-3-1-14-29-18)24-15-16-4-6-17(7-5-16)20(28)25-10-12-26(13-11-25)21-22-8-2-9-23-21/h1-9,14H,10-13,15H2,(H,24,27)