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

Systemtic Name: 8-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O2S/c31-30(32)23-24(29-14-11-19(12-15-29)16-18-6-2-1-3-7-18)27-17-28-25(23)33-21-10-4-8-20-9-5-13-26-22(20)21/h1-10,13,17,19H,11-12,14-16H2