N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-6-piperidino-pyrimidin-2-yl)-[4-[[3-(cyclohexylamino)propylamino]methyl]benzyl]amine Formula: C26H41N7 MolecularWeight: 451.65064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)N)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)N)N4CCCCC4

InChI

InChI=1S/C26H41N7/c27-24-18-25(33-16-5-2-6-17-33)32-26(31-24)30-20-22-12-10-21(11-13-22)19-28-14-7-15-29-23-8-3-1-4-9-23/h10-13,18,23,28-29H,1-9,14-17,19-20H2,(H3,27,30,31,32)