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

Systemtic Name: ethyl 4-[[6-[2-dimethylaminoethyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[2-dimethylaminoethyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-dimethylaminoethyl(methyl)amino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-dimethylaminoethyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[2-dimethylaminoethyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H29N7O4 MolecularWeight: 395.45666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N7O4/c1-5-28-17(25)23-8-6-13(7-9-23)20-15-14(24(26)27)16(19-12-18-15)22(4)11-10-21(2)3/h12-13H,5-11H2,1-4H3,(H,18,19,20)