8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O3S/c1-33-19-9-7-18(8-10-19)28-12-14-29(15-13-28)23-22(30(31)32)24(27-16-26-23)34-20-6-2-4-17-5-3-11-25-21(17)20/h2-11,16H,12-15H2,1H3