5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-N4-phenyl-pyrimidine-4,6-diamine CAS Name: 5-(4-chlorophenyl)-2-(4-methyl-1-piperazinyl)-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-chlorophenyl)-2-(4-methylpiperazino)pyrimidin-4-yl]-phenyl-amine Formula: C21H23ClN6 MolecularWeight: 394.90052

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C21H23ClN6/c1-27-11-13-28(14-12-27)21-25-19(23)18(15-7-9-16(22)10-8-15)20(26-21)24-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H3,23,24,25,26)