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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C16H18ClN5O4 MolecularWeight: 379.79822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3)Cl)OC

InChI

InChI=1S/C16H18ClN5O4/c1-25-12-8-13(26-2)11(7-10(12)17)20-15-14(22(23)24)16(19-9-18-15)21-5-3-4-6-21/h7-9H,3-6H2,1-2H3,(H,18,19,20)