N-[2-chloranyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O2S/c21-15-5-4-14(13-16(15)24-18(27)17-3-1-12-29-17)19(28)25-8-10-26(11-9-25)20-22-6-2-7-23-20/h1-7,12-13H,8-11H2,(H,24,27)