N6-(4-butoxyphenyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-5-nitro-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-5-nitro-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3/c1-2-3-12-28-16-6-4-14(5-7-16)23-18-17(25(26)27)19(22-13-21-18)24-15-8-10-20-11-9-15/h4-11,13H,2-3,12H2,1H3,(H2,20,21,22,23,24)