2-[3-(2-chlorophenyl)-2-oxidanylidene-7-(phenylmethylsulfanyl)-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methyl-propanamide

Systemtic Name: 2-[3-(2-chlorophenyl)-2-oxidanylidene-7-(phenylmethylsulfanyl)-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methyl-propanamide Openeye Name: 2-[7-benzylsulfanyl-3-(2-chlorophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methyl-propanamide CAS Name: 2-[3-(2-chlorophenyl)-2-oxo-7-(phenylmethylthio)-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methylpropanamide IUPAC Name: 2-[7-benzylsulfanyl-3-(2-chlorophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methylpropanamide Traditional Name: 2-[7-(benzylthio)-3-(2-chlorophenyl)-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]-2-methyl-propionamide Formula: C23H22ClN5O2S MolecularWeight: 467.97108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)N1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)N)N1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN5O2S/c1-23(2,20(25)30)29-19-16(13-28(22(29)31)18-11-7-6-10-17(18)24)12-26-21(27-19)32-14-15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3,(H2,25,30)