ethyl 4-[[6-[3-[methyl(phenyl)amino]propylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[3-[methyl(phenyl)amino]propylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[3-(N-methylanilino)propylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[3-(N-methylanilino)propylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[3-(N-methylanilino)propylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[3-(N-methylanilino)propylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H31N7O4 MolecularWeight: 457.52604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCCN(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCCN(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N7O4/c1-3-33-22(30)28-14-10-17(11-15-28)26-21-19(29(31)32)20(24-16-25-21)23-12-7-13-27(2)18-8-5-4-6-9-18/h4-6,8-9,16-17H,3,7,10-15H2,1-2H3,(H2,23,24,25,26)