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

Systemtic Name: 8-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C30H26N6O2S MolecularWeight: 534.63144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H26N6O2S/c37-36(38)28-29(32-21-33-30(28)39-25-15-7-13-22-14-8-16-31-26(22)25)35-19-17-34(18-20-35)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,21,27H,17-20H2