5-[[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-dimethoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-dimethoxy-4-[3-(4-methylpiperazino)propoxy]benzyl]pyrimidin-4-yl]amine Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C(C=C2OC)CC3=CN=C(N=C3N)N)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C(C=C2OC)CC3=CN=C(N=C3N)N)OC

InChI

InChI=1S/C21H32N6O3/c1-26-6-8-27(9-7-26)5-4-10-30-19-17(28-2)12-15(13-18(19)29-3)11-16-14-24-21(23)25-20(16)22/h12-14H,4-11H2,1-3H3,(H4,22,23,24,25)