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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-indolin-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43)Cl)OC

InChI

InChI=1S/C20H18ClN5O4/c1-29-16-10-17(30-2)14(9-13(16)21)24-19-18(26(27)28)20(23-11-22-19)25-8-7-12-5-3-4-6-15(12)25/h3-6,9-11H,7-8H2,1-2H3,(H,22,23,24)