N4-(4-chloranyl-3-methoxy-phenyl)-5-methyl-N2-(6-piperazin-1-ylpyridin-3-yl)pyrimidine-2,4-diamine

Systemtic Name: N4-(4-chloranyl-3-methoxy-phenyl)-5-methyl-N2-(6-piperazin-1-ylpyridin-3-yl)pyrimidine-2,4-diamine Openeye Name: N4-(4-chloro-3-methoxy-phenyl)-5-methyl-N2-(6-piperazin-1-yl-3-pyridyl)pyrimidine-2,4-diamine CAS Name: N4-(4-chloro-3-methoxyphenyl)-5-methyl-N2-[6-(1-piperazinyl)-3-pyridinyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-ylpyridin-3-yl)pyrimidine-2,4-diamine Traditional Name: [4-(4-chloro-3-methoxy-anilino)-5-methyl-pyrimidin-2-yl]-(6-piperazino-3-pyridyl)amine Formula: C21H24ClN7O MolecularWeight: 425.91456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN7O/c1-14-12-25-21(28-20(14)26-15-3-5-17(22)18(11-15)30-2)27-16-4-6-19(24-13-16)29-9-7-23-8-10-29/h3-6,11-13,23H,7-10H2,1-2H3,(H2,25,26,27,28)