N4,N6-bis(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4,N6-bis(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4,N6-bis(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4,N6-bis(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H17N7 MolecularWeight: 307.35308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C16H17N7/c17-14-15(20-9-12-3-1-5-18-7-12)22-11-23-16(14)21-10-13-4-2-6-19-8-13/h1-8,11H,9-10,17H2,(H2,20,21,22,23)