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

Systemtic Name: 2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone CAS Name: 2-[4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-(1-azepanyl)ethanone IUPAC Name: 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone Formula: C16H26ClN6O+ MolecularWeight: 353.87024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C16H25ClN6O/c17-13-11-14(20-16(18)19-13)22-9-7-21(8-10-22)12-15(24)23-5-3-1-2-4-6-23/h11H,1-10,12H2,(H2,18,19,20)/p+1