N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H15ClN4O4S/c1-26-14-9-15(27-2)13(8-12(14)19)22-17-16(23(24)25)18(21-10-20-17)28-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21,22)