1-[4-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazino]phenyl]ethanone Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C16H18ClN5O/c1-11(23)12-2-4-13(5-3-12)21-6-8-22(9-7-21)15-10-14(17)19-16(18)20-15/h2-5,10H,6-9H2,1H3,(H2,18,19,20)