N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2,4-dimethoxy-phenyl)-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2,4-dimethoxyphenyl)-N4-cyclopentyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-cyclopentyl-amine Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H20ClN5O4/c1-26-13-8-14(27-2)12(7-11(13)18)22-17-15(23(24)25)16(19-9-20-17)21-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,19,20,21,22)