3-[2,6-bis(fluoranyl)phenyl]-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2,6-difluorophenyl)-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2,6-difluorophenyl)-1-methyl-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2,6-difluorophenyl)-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2,6-difluorophenyl)-1-methyl-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C14H12F2N4OS MolecularWeight: 322.333086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC=C3F)F)SC

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC=C3F)F)SC

InChI

InChI=1S/C14H12F2N4OS/c1-19-12-8(6-17-13(18-12)22-2)7-20(14(19)21)11-9(15)4-3-5-10(11)16/h3-6H,7H2,1-2H3