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

Systemtic Name: N4-(4-chloranyl-3-methoxy-phenyl)-5-methyl-N2-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(4-chloro-3-methoxy-phenyl)-5-methyl-N2-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine CAS Name: N4-(4-chloro-3-methoxyphenyl)-5-methyl-N2-[4-(1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine Traditional Name: [4-(4-chloro-3-methoxy-anilino)-5-methyl-pyrimidin-2-yl]-(4-piperazinophenyl)amine Formula: C22H25ClN6O MolecularWeight: 424.9265

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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)N4CCNCC4

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)OC)NC3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C22H25ClN6O/c1-15-14-25-22(28-21(15)26-17-5-8-19(23)20(13-17)30-2)27-16-3-6-18(7-4-16)29-11-9-24-10-12-29/h3-8,13-14,24H,9-12H2,1-2H3,(H2,25,26,27,28)