5-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[2-(2-carbamoylanilino)-2-oxo-ethyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(2-carbamoylanilino)-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[2-(2-carbamoylanilino)-2-oxoethyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[2-(2-carbamoylanilino)-2-keto-ethyl]-6-methyl-pyrimidin-4-olate Formula: C21H19N4O3S- MolecularWeight: 407.46556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H20N4O3S/c1-13-16(11-18(26)24-17-10-6-5-9-15(17)19(22)27)20(28)25-21(23-13)29-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,22,27)(H,24,26)(H,23,25,28)/p-1