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

Systemtic Name: N4-(4-chloranyl-3-methoxy-phenyl)-5-methyl-N2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(4-chloro-3-methoxy-phenyl)-5-methyl-N2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine CAS Name: N4-(4-chloro-3-methoxyphenyl)-5-methyl-N2-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(4-chloro-3-methoxy-anilino)-5-methyl-pyrimidin-2-yl]-[4-[(4-methylpiperazino)methyl]phenyl]amine Formula: C24H29ClN6O MolecularWeight: 452.97966

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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)CN4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)OC)NC3=CC=C(C=C3)CN4CCN(CC4)C

InChI

InChI=1S/C24H29ClN6O/c1-17-15-26-24(29-23(17)27-20-8-9-21(25)22(14-20)32-3)28-19-6-4-18(5-7-19)16-31-12-10-30(2)11-13-31/h4-9,14-15H,10-13,16H2,1-3H3,(H2,26,27,28,29)