6-(5-bromanylquinolin-8-yl)oxy-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-[(5-bromo-8-quinolyl)oxy]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-methyl-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(5-bromoquinolin-8-yl)oxy-N-methyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C21H16BrN5O3 MolecularWeight: 466.28744

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN5O3/c1-26(12-14-6-3-2-4-7-14)20-19(27(28)29)21(25-13-24-20)30-17-10-9-16(22)15-8-5-11-23-18(15)17/h2-11,13H,12H2,1H3