1-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol

Systemtic Name: 1-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol Openeye Name: 1-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]piperidin-3-ol CAS Name: 1-[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-4-piperidinyl]-3-piperidinol IUPAC Name: 1-[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol Traditional Name: 1-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]piperidin-3-ol Formula: C20H25ClN6O3 MolecularWeight: 432.9039

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C20H25ClN6O3/c21-14-3-5-15(6-4-14)23-20-22-12-18(27(29)30)19(24-20)25-10-7-16(8-11-25)26-9-1-2-17(28)13-26/h3-6,12,16-17,28H,1-2,7-11,13H2,(H,22,23,24)