N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C18H23ClN6O5 MolecularWeight: 438.86542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H23ClN6O5/c1-28-14-10-15(29-2)13(9-12(14)19)23-18-16(25(26)27)17(21-11-22-18)20-3-4-24-5-7-30-8-6-24/h9-11H,3-8H2,1-2H3,(H2,20,21,22,23)