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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C18H20N6/c1-2-13-5-7-15(8-6-13)24-18-16(19)17(22-12-23-18)21-11-14-4-3-9-20-10-14/h3-10,12H,2,11,19H2,1H3,(H2,21,22,23,24)