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

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-anilinoanilino)-2-oxo-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-anilinoanilino)-2-oxoethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-anilinoanilino)-2-oxoethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-anilinoanilino)-2-keto-ethyl]thio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C21H21N4O3S- MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[O-])CCO

InChI

InChI=1S/C21H22N4O3S/c1-14-18(11-12-26)20(28)25-21(22-14)29-13-19(27)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-10,23,26H,11-13H2,1H3,(H,24,27)(H,22,25,28)/p-1