2-[methyl-[5-nitro-4-[(E)-2-phenylethenyl]-6-piperidin-1-yl-pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[methyl-[5-nitro-4-[(E)-2-phenylethenyl]-6-piperidin-1-yl-pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[methyl-[5-nitro-4-(1-piperidyl)-6-[(E)-styryl]pyrimidin-2-yl]amino]ethanol CAS Name: 2-[methyl-[5-nitro-4-[(E)-2-phenylethenyl]-6-(1-piperidinyl)-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[methyl-[5-nitro-4-[(E)-2-phenylethenyl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol Traditional Name: 2-[methyl-[5-nitro-4-piperidino-6-[(E)-styryl]pyrimidin-2-yl]amino]ethanol Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])C=CC3=CC=CC=C3

Isomeric SMILES

CN(CCO)C1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-23(14-15-26)20-21-17(11-10-16-8-4-2-5-9-16)18(25(27)28)19(22-20)24-12-6-3-7-13-24/h2,4-5,8-11,26H,3,6-7,12-15H2,1H3/b11-10+