N4-[(3-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

Systemtic Name: N4-[(3-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine Openeye Name: N4-[(3-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine CAS Name: N4-[(3-chlorophenyl)methyl]-6-(4-methyl-1-piperazinyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[(3-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-(3-chlorobenzyl)amine Formula: C16H21ClN6 MolecularWeight: 332.83114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN6/c1-22-5-7-23(8-6-22)15-10-14(20-16(18)21-15)19-11-12-3-2-4-13(17)9-12/h2-4,9-10H,5-8,11H2,1H3,(H3,18,19,20,21)