2-[[6-azanyl-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[[6-azanyl-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NCCO)[N+](=O)[O-])N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C18H24N6O3/c19-16-15(24(26)27)17(20-8-11-25)22-18(21-16)23-9-6-14(7-10-23)12-13-4-2-1-3-5-13/h1-5,14,25H,6-12H2,(H3,19,20,21,22)