N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H28N6O5/c1-29-16-4-3-15(13-17(16)30-2)5-6-21-19-18(26(27)28)20(24-14-23-19)22-7-8-25-9-11-31-12-10-25/h3-4,13-14H,5-12H2,1-2H3,(H2,21,22,23,24)