N4-(1,3-benzodioxol-4-yl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(1,3-benzodioxol-4-yl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(1,3-benzodioxol-4-yl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(1,3-benzodioxol-4-yl)-5-methyl-N2-[4-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: 1,3-benzodioxol-4-yl-[5-methyl-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=C3C(=CC=C2)OCO3)NC4=CC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=CN=C(N=C1NC2=C3C(=CC=C2)OCO3)NC4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C23H26N6O2/c1-16-14-24-23(27-22(16)26-19-4-3-5-20-21(19)31-15-30-20)25-17-6-8-18(9-7-17)29-12-10-28(2)11-13-29/h3-9,14H,10-13,15H2,1-2H3,(H2,24,25,26,27)