N-(5-bromanylpyridin-2-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-bromanylpyridin-2-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-bromo-2-pyridyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(5-bromo-2-pyridinyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-bromopyridin-2-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (5-bromo-2-pyridyl)-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H20BrN7O3 MolecularWeight: 486.3219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN7O3/c1-31-16-5-3-15(4-6-16)26-8-10-27(11-9-26)20-18(28(29)30)19(23-13-24-20)25-17-7-2-14(21)12-22-17/h2-7,12-13H,8-11H2,1H3,(H,22,23,24,25)