6-methyl-5-[3-oxidanylidene-3-[phenethyl-(phenylmethyl)amino]propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[3-oxidanylidene-3-[phenethyl-(phenylmethyl)amino]propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 5-[3-[benzyl(phenethyl)amino]-3-oxo-propyl]-2-benzylsulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[3-oxo-3-[phenethyl-(phenylmethyl)amino]propyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[benzyl(phenethyl)amino]-3-oxopropyl]-2-benzylsulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-[3-[benzyl(phenethyl)amino]-3-keto-propyl]-2-(benzylthio)-6-methyl-pyrimidin-4-olate Formula: C30H30N3O2S- MolecularWeight: 496.6431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O2S/c1-23-27(29(35)32-30(31-23)36-22-26-15-9-4-10-16-26)17-18-28(34)33(21-25-13-7-3-8-14-25)20-19-24-11-5-2-6-12-24/h2-16H,17-22H2,1H3,(H,31,32,35)/p-1