6-[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonyl-1-methyl-pyrido[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 6-[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonyl-1-methyl-pyrido[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-[5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)benzoyl]-1-methyl-pyrido[2,3-d]pyrimidine-2,4-dione CAS Name: 6-[[5-chloro-2-hydroxy-3-[(2-pyrimidinylthio)methyl]phenyl]-oxomethyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-[5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)benzoyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione Traditional Name: 6-[5-chloro-2-hydroxy-3-[(2-pyrimidylthio)methyl]benzoyl]-1-methyl-pyrido[2,3-d]pyrimidine-2,4-quinone Formula: C20H14ClN5O4S MolecularWeight: 455.87426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C=C2C(=O)NC1=O)C(=O)C3=CC(=CC(=C3O)CSC4=NC=CC=N4)Cl

Isomeric SMILES

CN1C2=NC=C(C=C2C(=O)NC1=O)C(=O)C3=CC(=CC(=C3O)CSC4=NC=CC=N4)Cl

InChI

InChI=1S/C20H14ClN5O4S/c1-26-17-14(18(29)25-20(26)30)6-10(8-24-17)15(27)13-7-12(21)5-11(16(13)28)9-31-19-22-3-2-4-23-19/h2-8,28H,9H2,1H3,(H,25,29,30)