N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C19H25ClN6O5 MolecularWeight: 452.892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H25ClN6O5/c1-29-15-11-16(30-2)14(10-13(15)20)24-19-17(26(27)28)18(22-12-23-19)21-4-3-5-25-6-8-31-9-7-25/h10-12H,3-9H2,1-2H3,(H2,21,22,23,24)