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

Systemtic Name: N4,N6-bis[(4-butoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis[(4-butoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis[(4-butoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis[(4-butoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-butoxybenzyl)-[6-[(4-butoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCCCC)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O4/c1-3-5-15-34-22-11-7-20(8-12-22)17-27-25-24(31(32)33)26(30-19-29-25)28-18-21-9-13-23(14-10-21)35-16-6-4-2/h7-14,19H,3-6,15-18H2,1-2H3,(H2,27,28,29,30)