N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-bis(2-methoxyethyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: bis(2-methoxyethyl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O5/c1-30-14-12-26(13-15-31-2)22-20(27(28)29)21(23-16-24-22)25-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)