N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C19H25ClN6O4 MolecularWeight: 436.8926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H25ClN6O4/c1-29-15-11-16(30-2)14(10-13(15)20)24-19-17(26(27)28)18(22-12-23-19)21-6-9-25-7-4-3-5-8-25/h10-12H,3-9H2,1-2H3,(H2,21,22,23,24)