2-[4-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H23ClN6O5 MolecularWeight: 438.86542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO)Cl)OC

InChI

InChI=1S/C18H23ClN6O5/c1-29-14-10-15(30-2)13(9-12(14)19)22-17-16(25(27)28)18(21-11-20-17)24-5-3-23(4-6-24)7-8-26/h9-11,26H,3-8H2,1-2H3,(H,20,21,22)