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

Systemtic Name: 2-[2-[[4-azanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C15H20N6O4 MolecularWeight: 348.3571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO

InChI

InChI=1S/C15H20N6O4/c16-13-12(21(23)24)14(18-10-11-4-2-1-3-5-11)20-15(19-13)17-6-8-25-9-7-22/h1-5,22H,6-10H2,(H4,16,17,18,19,20)