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

Systemtic Name: 9-[2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfonyl-7H-purin-8-one Openeye Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfonyl-7H-purin-8-one CAS Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfonyl-7H-purin-8-one IUPAC Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methylsulfonyl-7H-purin-8-one Traditional Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-mesyl-7H-purin-8-one Formula: C21H18ClN5O5S2 MolecularWeight: 519.98112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2C(=N1)N(C(=O)N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C2C(=N1)N(C(=O)N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)Cl

InChI

InChI=1S/C21H18ClN5O5S2/c1-33(29,30)20-23-12-16-19(25-20)27(21(28)24-16)18-11-14(8-9-15(18)22)34(31,32)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)