N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43)Cl)OC

InChI

InChI=1S/C21H20ClN5O4/c1-30-17-11-18(31-2)15(10-14(17)22)25-20-19(27(28)29)21(24-12-23-20)26-9-5-7-13-6-3-4-8-16(13)26/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,23,24,25)