2-[4-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butyl]piperazin-1-yl]-5-methyl-pyrimidine

Systemtic Name: 2-[4-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butyl]piperazin-1-yl]-5-methyl-pyrimidine Openeye Name: 2-[4-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butyl]piperazin-1-yl]-5-methyl-pyrimidine CAS Name: 2-[4-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)butyl]-1-piperazinyl]-5-methylpyrimidine IUPAC Name: 2-[4-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)butyl]piperazin-1-yl]-5-methylpyrimidine Traditional Name: 2-[4-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butyl]piperazino]-5-methyl-pyrimidine Formula: C18H27BrN6 MolecularWeight: 407.35118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)N2CCN(CC2)CCCCN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CN=C(N=C1)N2CCN(CC2)CCCCN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C18H27BrN6/c1-14-12-20-18(21-13-14)24-10-8-23(9-11-24)6-4-5-7-25-16(3)17(19)15(2)22-25/h12-13H,4-11H2,1-3H3