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

Systemtic Name: N4-(4-butoxyphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butoxyphenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-butoxyphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butoxyanilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C20H24N6O/c1-2-3-11-27-17-8-6-16(7-9-17)26-20-18(21)19(24-14-25-20)23-13-15-5-4-10-22-12-15/h4-10,12,14H,2-3,11,13,21H2,1H3,(H2,23,24,25,26)