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

Systemtic Name: 8-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O2S/c31-30(32)22-23(29-14-12-28(13-15-29)16-18-6-2-1-3-7-18)26-17-27-24(22)33-20-10-4-8-19-9-5-11-25-21(19)20/h1-11,17H,12-16H2