ethyl 4-[[6-[(2-chloranyl-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[(2-chloranyl-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[(2-chloro-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[(2-chloro-6-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(2-chloro-6-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[(2-chloro-6-methyl-benzyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H25ClN6O4 MolecularWeight: 448.9033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=C(C=CC=C3Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=C(C=CC=C3Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN6O4/c1-3-31-20(28)26-9-7-14(8-10-26)25-19-17(27(29)30)18(23-12-24-19)22-11-15-13(2)5-4-6-16(15)21/h4-6,12,14H,3,7-11H2,1-2H3,(H2,22,23,24,25)