N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxy-pyrimidine-2,4-diamine

Systemtic Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxy-pyrimidine-2,4-diamine Openeye Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxy-pyrimidine-2,4-diamine CAS Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine IUPAC Name: 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine Traditional Name: (4-amino-6-phenoxy-pyrimidin-2-yl)-[4-[[3-(cyclohexylamino)propylamino]methyl]benzyl]amine Formula: C27H36N6O MolecularWeight: 460.61434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)OC4=CC=CC=C4)N

Isomeric SMILES

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)OC4=CC=CC=C4)N

InChI

InChI=1S/C27H36N6O/c28-25-18-26(34-24-10-5-2-6-11-24)33-27(32-25)31-20-22-14-12-21(13-15-22)19-29-16-7-17-30-23-8-3-1-4-9-23/h2,5-6,10-15,18,23,29-30H,1,3-4,7-9,16-17,19-20H2,(H3,28,31,32,33)