N4,N6-bis[[4-(2-methylpropoxy)phenyl]methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis[[4-(2-methylpropoxy)phenyl]methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis[(4-isobutoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis[[4-(2-methylpropoxy)phenyl]methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis[[4-(2-methylpropoxy)phenyl]methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-isobutoxybenzyl)-[6-[(4-isobutoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O4/c1-18(2)15-34-22-9-5-20(6-10-22)13-27-25-24(31(32)33)26(30-17-29-25)28-14-21-7-11-23(12-8-21)35-16-19(3)4/h5-12,17-19H,13-16H2,1-4H3,(H2,27,28,29,30)