5-bromanyl-4-chloranyl-N-heptyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine hydrochloride

Systemtic Name: 5-bromanyl-4-chloranyl-N-heptyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine hydrochloride Openeye Name: 5-bromo-4-chloro-N-heptyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine hydrochloride CAS Name: 5-bromo-4-chloro-N-heptyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinamine hydrochloride IUPAC Name: 5-bromo-4-chloro-N-heptyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine hydrochloride Traditional Name: [5-bromo-4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]-heptyl-amine hydrochloride Formula: C16H28BrCl2N5 MolecularWeight: 441.23702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC(=C(C(=N1)Cl)Br)N2CCN(CC2)C.Cl

Isomeric SMILES

CCCCCCCNC1=NC(=C(C(=N1)Cl)Br)N2CCN(CC2)C.Cl

InChI

InChI=1S/C16H27BrClN5.ClH/c1-3-4-5-6-7-8-19-16-20-14(18)13(17)15(21-16)23-11-9-22(2)10-12-23;/h3-12H2,1-2H3,(H,19,20,21);1H