N6-butyl-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H19N5O2/c1-2-3-11-19-17-16(23(24)25)18(21-12-20-17)22-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,2-3,11H2,1H3,(H2,19,20,21,22)