6-methyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 5-(3-anilino-3-oxo-propyl)-2-benzylsulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-(3-anilino-3-oxopropyl)-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 5-(3-anilino-3-oxopropyl)-2-benzylsulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-(3-anilino-3-keto-propyl)-2-(benzylthio)-6-methyl-pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-15-18(12-13-19(25)23-17-10-6-3-7-11-17)20(26)24-21(22-15)27-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,23,25)(H,22,24,26)/p-1