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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(C1)CO)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN5O3/c17-11-4-6-12(7-5-11)19-16-18-9-14(22(24)25)15(20-16)21-8-2-1-3-13(21)10-23/h4-7,9,13,23H,1-3,8,10H2,(H,18,19,20)