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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H22ClN5O4 MolecularWeight: 407.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O4/c1-11-6-4-5-7-23(11)18-16(24(25)26)17(20-10-21-18)22-13-8-12(19)14(27-2)9-15(13)28-3/h8-11H,4-7H2,1-3H3,(H,20,21,22)