4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-5-nitro-6-(phenylthio)pyrimidine Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2S/c33-32(34)25-26(28-20-29-27(25)35-23-14-8-3-9-15-23)31-18-16-30(17-19-31)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,20,24H,16-19H2