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

Systemtic Name: N6-phenethyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-phenethyl-N4-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N6-phenethyl-N4-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-phenethyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(phenethylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2N)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2N)NCC3=CN=CC=C3

InChI

InChI=1S/C18H20N6/c19-16-17(21-10-8-14-5-2-1-3-6-14)23-13-24-18(16)22-12-15-7-4-9-20-11-15/h1-7,9,11,13H,8,10,12,19H2,(H2,21,22,23,24)