6,7-bis(4-bromophenyl)-1-methyl-2-methylsulfanyl-pteridin-4-one

Systemtic Name: 6,7-bis(4-bromophenyl)-1-methyl-2-methylsulfanyl-pteridin-4-one Openeye Name: 6,7-bis(4-bromophenyl)-1-methyl-2-methylsulfanyl-pteridin-4-one CAS Name: 6,7-bis(4-bromophenyl)-1-methyl-2-(methylthio)-4-pteridinone IUPAC Name: 6,7-bis(4-bromophenyl)-1-methyl-2-methylsulfanylpteridin-4-one Traditional Name: 6,7-bis(4-bromophenyl)-1-methyl-2-(methylthio)pteridin-4-one Formula: C20H14Br2N4OS MolecularWeight: 518.22436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C1SC)N=C(C(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N=C1SC)N=C(C(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14Br2N4OS/c1-26-18-17(19(27)25-20(26)28-2)23-15(11-3-7-13(21)8-4-11)16(24-18)12-5-9-14(22)10-6-12/h3-10H,1-2H3