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

Systemtic Name: 3-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-2-yl]propan-1-ol Openeye Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-2-piperidyl]propan-1-ol CAS Name: 3-[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-2-piperidinyl]-1-propanol IUPAC Name: 3-[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-2-yl]propan-1-ol Traditional Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-2-piperidyl]propan-1-ol Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O3/c19-13-6-8-14(9-7-13)21-18-20-12-16(24(26)27)17(22-18)23-10-2-1-4-15(23)5-3-11-25/h6-9,12,15,25H,1-5,10-11H2,(H,20,21,22)