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

Systemtic Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(1-piperazinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-6-piperazino-pyrimidin-2-yl)-[4-[[3-(cyclohexylamino)propylamino]methyl]benzyl]amine Formula: C25H40N8 MolecularWeight: 452.6387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)N)N4CCNCC4

Isomeric SMILES

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)N)N4CCNCC4

InChI

InChI=1S/C25H40N8/c26-23-17-24(33-15-13-27-14-16-33)32-25(31-23)30-19-21-9-7-20(8-10-21)18-28-11-4-12-29-22-5-2-1-3-6-22/h7-10,17,22,27-29H,1-6,11-16,18-19H2,(H3,26,30,31,32)