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

Systemtic Name: N6-(4-butoxyphenyl)-N4-(4-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-(4-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O3/c1-2-3-12-29-17-10-8-16(9-11-17)25-20-18(26(27)28)19(22-13-23-20)24-15-6-4-14(21)5-7-15/h4-11,13H,2-3,12H2,1H3,(H2,22,23,24,25)