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

Systemtic Name: N4-(4-chloranyl-3-methoxy-phenyl)-5-methyl-N2-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(4-chloro-3-methoxy-phenyl)-5-methyl-N2-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(4-chloro-3-methoxyphenyl)-5-methyl-N2-[4-(1-piperazinylmethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(4-chloro-3-methoxy-anilino)-5-methyl-pyrimidin-2-yl]-[4-(piperazinomethyl)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)CN4CCNCC4

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)OC)NC3=CC=C(C=C3)CN4CCNCC4

InChI

InChI=1S/C23H27ClN6O/c1-16-14-26-23(29-22(16)27-19-7-8-20(24)21(13-19)31-2)28-18-5-3-17(4-6-18)15-30-11-9-25-10-12-30/h3-8,13-14,25H,9-12,15H2,1-2H3,(H2,26,27,28,29)