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

Systemtic Name: 2-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-piperazin-1-yl-butyl]pyrimidine Openeye Name: 2-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-piperazin-1-yl-butyl]pyrimidine CAS Name: 2-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-(1-piperazinyl)butyl]pyrimidine IUPAC Name: 2-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylbutyl]pyrimidine Traditional Name: 2-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-piperazino-butyl]pyrimidine Formula: C17H25BrN6 MolecularWeight: 393.3246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)Br

InChI

InChI=1S/C17H25BrN6/c1-13-16(18)14(2)24(22-13)10-3-5-15(17-20-6-4-7-21-17)23-11-8-19-9-12-23/h4,6-7,15,19H,3,5,8-12H2,1-2H3