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

Systemtic Name: 2-[(6-azanyl-5-nitro-pyrimidin-4-yl)-(phenylmethyl)amino]ethanol Openeye Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)-benzyl-amino]ethanol CAS Name: 2-[(6-amino-5-nitro-4-pyrimidinyl)-(phenylmethyl)amino]ethanol IUPAC Name: 2-[(6-amino-5-nitropyrimidin-4-yl)-benzylamino]ethanol Traditional Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)-benzyl-amino]ethanol Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)C2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)C2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C13H15N5O3/c14-12-11(18(20)21)13(16-9-15-12)17(6-7-19)8-10-4-2-1-3-5-10/h1-5,9,19H,6-8H2,(H2,14,15,16)