N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2,4-diamine

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-[[2-methyl-6-(4-methylpiperazino)pyrimidin-4-yl]amino]pyrimidin-4-yl]amine Formula: C21H23ClN8O2 MolecularWeight: 454.91272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl)N5CCN(CC5)C

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl)N5CCN(CC5)C

InChI

InChI=1S/C21H23ClN8O2/c1-13-24-17(11-18(25-13)30-9-7-29(2)8-10-30)28-21-23-6-5-16(27-21)26-19-14(22)3-4-15-20(19)32-12-31-15/h3-6,11H,7-10,12H2,1-2H3,(H2,23,24,25,26,27,28)