2-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(dibenzylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[bis(phenylmethyl)amino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(dibenzylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(dibenzylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C28H26N3O2S- MolecularWeight: 468.58994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O2S/c1-21-25(17-22-11-5-2-6-12-22)27(33)30-28(29-21)34-20-26(32)31(18-23-13-7-3-8-14-23)19-24-15-9-4-10-16-24/h2-16H,17-20H2,1H3,(H,29,30,33)/p-1