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

Systemtic Name: N4,N6-bis[(4-ethoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis[(4-ethoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis[(4-ethoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis[(4-ethoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-ethoxybenzyl)-[6-[(4-ethoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c1-3-30-18-9-5-16(6-10-18)13-23-21-20(27(28)29)22(26-15-25-21)24-14-17-7-11-19(12-8-17)31-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H2,23,24,25,26)