2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-6-oxo-3-phenyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]-3-phenyl-pyrimidin-4-olate Formula: C26H22N3O3S- MolecularWeight: 456.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2C3=CC=CC=C3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2C3=CC=CC=C3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-18-12-14-20(15-13-18)27-23(30)17-33-26-28-24(31)22(16-19-8-4-2-5-9-19)25(32)29(26)21-10-6-3-7-11-21/h2-15,32H,16-17H2,1H3,(H,27,30)/p-1