N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine

Systemtic Name: N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine Openeye Name: N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine CAS Name: N'-cyclohexyl-N-[[4-[(2-pyrimidinylamino)methyl]phenyl]methyl]propane-1,3-diamine IUPAC Name: N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine Traditional Name: cyclohexyl-[3-[[4-[(2-pyrimidylamino)methyl]benzyl]amino]propyl]amine Formula: C21H31N5 MolecularWeight: 353.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC=CC=N3

Isomeric SMILES

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC=CC=N3

InChI

InChI=1S/C21H31N5/c1-2-6-20(7-3-1)23-13-4-12-22-16-18-8-10-19(11-9-18)17-26-21-24-14-5-15-25-21/h5,8-11,14-15,20,22-23H,1-4,6-7,12-13,16-17H2,(H,24,25,26)