N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C21H16ClN5O4S MolecularWeight: 469.90084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C21H16ClN5O4S/c1-30-15-10-16(31-2)14(9-13(15)22)26-20-19(27(28)29)21(25-11-24-20)32-17-7-3-5-12-6-4-8-23-18(12)17/h3-11H,1-2H3,(H,24,25,26)