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

Systemtic Name: N4-(4-chloranyl-3-methoxy-phenyl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(4-chloro-3-methoxy-phenyl)-5-methyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(4-chloro-3-methoxyphenyl)-5-methyl-N2-[4-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(4-chloro-3-methoxy-anilino)-5-methyl-pyrimidin-2-yl]-[4-(4-methylpiperazino)phenyl]amine Formula: C23H27ClN6O MolecularWeight: 438.95308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)OC)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)OC)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H27ClN6O/c1-16-15-25-23(28-22(16)26-18-6-9-20(24)21(14-18)31-3)27-17-4-7-19(8-5-17)30-12-10-29(2)11-13-30/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28)