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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23ClN6O4 MolecularWeight: 422.86602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN6O4/c1-4-23-5-7-24(8-6-23)18-16(25(26)27)17(20-11-21-18)22-13-9-12(19)14(28-2)10-15(13)29-3/h9-11H,4-8H2,1-3H3,(H,20,21,22)