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

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine CAS Name: 5-(4-chlorophenyl)-2-(4-methyl-1-piperazinyl)-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-chlorophenyl)-2-(4-methylpiperazino)pyrimidin-4-yl]-benzyl-amine Formula: C22H25ClN6 MolecularWeight: 408.9271

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C22H25ClN6/c1-28-11-13-29(14-12-28)22-26-20(24)19(17-7-9-18(23)10-8-17)21(27-22)25-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H3,24,25,26,27)