N-(2-chloranylpyridin-3-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-chloranylpyridin-3-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-chloro-3-pyridyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-chloropyridin-3-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H20ClN7O3 MolecularWeight: 441.8709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN7O3/c1-31-15-6-4-14(5-7-15)26-9-11-27(12-10-26)20-17(28(29)30)19(23-13-24-20)25-16-3-2-8-22-18(16)21/h2-8,13H,9-12H2,1H3,(H,23,24,25)