ethyl 4-[[6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[4-(2,6-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[4-(2,6-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H33N7O4 MolecularWeight: 483.56332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=C(C=CC=C4C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=C(C=CC=C4C)C

InChI

InChI=1S/C24H33N7O4/c1-4-35-24(32)30-10-8-19(9-11-30)27-22-21(31(33)34)23(26-16-25-22)29-14-12-28(13-15-29)20-17(2)6-5-7-18(20)3/h5-7,16,19H,4,8-15H2,1-3H3,(H,25,26,27)