N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C20H18BrN5O2S MolecularWeight: 472.35822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O2S/c21-15-12-22-20(23-13-15)26-8-6-25(7-9-26)19(28)14-3-1-4-16(11-14)24-18(27)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H,24,27)