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

Systemtic Name: [1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-3-yl]methanol Openeye Name: [1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-3-piperidyl]methanol CAS Name: [1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-3-piperidinyl]methanol IUPAC Name: [1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-3-yl]methanol Traditional Name: [1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-3-piperidyl]methanol Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)CO

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)CO

InChI

InChI=1S/C16H18ClN5O3/c17-12-3-5-13(6-4-12)19-16-18-8-14(22(24)25)15(20-16)21-7-1-2-11(9-21)10-23/h3-6,8,11,23H,1-2,7,9-10H2,(H,18,19,20)