N4,N6-bis(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(4-butylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(4-butylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O2/c1-3-5-7-18-9-13-20(14-10-18)27-23-22(29(30)31)24(26-17-25-23)28-21-15-11-19(12-16-21)8-6-4-2/h9-17H,3-8H2,1-2H3,(H2,25,26,27,28)