2-azanyl-5-bromanyl-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-sulfonamide

Systemtic Name: 2-azanyl-5-bromanyl-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-sulfonamide Openeye Name: 2-amino-5-bromo-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-sulfonamide CAS Name: 2-amino-5-bromo-N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-3-pyridinesulfonamide IUPAC Name: 2-amino-5-bromo-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-sulfonamide Traditional Name: 2-amino-5-bromo-N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]pyridine-3-sulfonamide Formula: C16H20BrN7O3S MolecularWeight: 470.3441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br

InChI

InChI=1S/C16H20BrN7O3S/c17-12-10-13(15(18)21-11-12)28(26,27)22-5-2-14(25)23-6-8-24(9-7-23)16-19-3-1-4-20-16/h1,3-4,10-11,22H,2,5-9H2,(H2,18,21)