9-[2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfanyl-7H-purin-8-one

Systemtic Name: 9-[2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfanyl-7H-purin-8-one Openeye Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfanyl-7H-purin-8-one CAS Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-(methylthio)-7H-purin-8-one IUPAC Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfanyl-7H-purin-8-one Traditional Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-(methylthio)-7H-purin-8-one Formula: C21H18ClN5O3S2 MolecularWeight: 487.98232

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)N(C(=O)N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)Cl

Isomeric SMILES

CSC1=NC=C2C(=N1)N(C(=O)N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)Cl

InChI

InChI=1S/C21H18ClN5O3S2/c1-31-20-23-12-16-19(25-20)27(21(28)24-16)18-11-14(8-9-15(18)22)32(29,30)26-10-4-6-13-5-2-3-7-17(13)26/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,24,28)