1-[12-(2-azanylidene-5-phenyl-pyrimidin-1-yl)dodecyl]-5-phenyl-pyrimidin-2-imine bromide

Systemtic Name: 1-[12-(2-azanylidene-5-phenyl-pyrimidin-1-yl)dodecyl]-5-phenyl-pyrimidin-2-imine bromide Openeye Name: 1-[12-(2-imino-5-phenyl-pyrimidin-1-yl)dodecyl]-5-phenyl-pyrimidin-2-imine bromide CAS Name: 1-[12-(2-imino-5-phenyl-1-pyrimidinyl)dodecyl]-5-phenyl-2-pyrimidinimine bromide IUPAC Name: 1-[12-(2-imino-5-phenylpyrimidin-1-yl)dodecyl]-5-phenylpyrimidin-2-imine bromide Traditional Name: [1-[12-(2-imino-5-phenyl-pyrimidin-1-yl)dodecyl]-5-phenyl-pyrimidin-2-ylidene]amine bromide Formula: C32H40BrN6- MolecularWeight: 588.6042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N)N=C2)CCCCCCCCCCCCN3C=C(C=NC3=N)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N)N=C2)CCCCCCCCCCCCN3C=C(C=NC3=N)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C32H40N6.BrH/c33-31-35-23-29(27-17-11-9-12-18-27)25-37(31)21-15-7-5-3-1-2-4-6-8-16-22-38-26-30(24-36-32(38)34)28-19-13-10-14-20-28;/h9-14,17-20,23-26,33-34H,1-8,15-16,21-22H2;1H/p-1