N4-[(2-chlorophenyl)methyl]-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-[(2-chlorophenyl)methyl]-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-[(2-chlorophenyl)methyl]-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-[(2-chlorophenyl)methyl]-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(2-chlorobenzyl)amino]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H17ClN6 MolecularWeight: 340.81008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC(=C2N)NCC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC(=C2N)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C17H17ClN6/c18-14-6-2-1-5-13(14)10-22-17-15(19)16(23-11-24-17)21-9-12-4-3-7-20-8-12/h1-8,11H,9-10,19H2,(H2,21,22,23,24)