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

Systemtic Name: 2-[[6-azanyl-2-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C14H18N6O3/c1-19(9-10-5-3-2-4-6-10)14-17-12(15)11(20(22)23)13(18-14)16-7-8-21/h2-6,21H,7-9H2,1H3,(H3,15,16,17,18)