N4-(5-chloranyl-2-methoxy-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methoxy-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methoxy-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methoxyphenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methoxyphenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methoxy-anilino)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C21H22ClN5O5 MolecularWeight: 459.88288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O5/c1-30-16-7-5-14(22)11-15(16)26-21-19(27(28)29)20(24-12-25-21)23-9-8-13-4-6-17(31-2)18(10-13)32-3/h4-7,10-12H,8-9H2,1-3H3,(H2,23,24,25,26)