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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(benzylamino)-2-keto-ethyl]thio]-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)SCC(=O)NCC2=CC=CC=C2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)[O-])CC3=CC=CC=C3

InChI

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