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

Systemtic Name: N4,N6-bis(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C24H29N5O4 MolecularWeight: 451.51816

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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)OCCCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4/c1-3-5-15-32-20-11-7-18(8-12-20)27-23-22(29(30)31)24(26-17-25-23)28-19-9-13-21(14-10-19)33-16-6-4-2/h7-14,17H,3-6,15-16H2,1-2H3,(H2,25,26,27,28)