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

Systemtic Name: 9-[2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7H-purin-8-one Openeye Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7H-purin-8-one CAS Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7H-purin-8-one IUPAC Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7H-purin-8-one Traditional Name: 9-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7H-purin-8-one Formula: C20H16ClN5O3S MolecularWeight: 441.89074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)N4C5=NC=NC=C5NC4=O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)N4C5=NC=NC=C5NC4=O

InChI

InChI=1S/C20H16ClN5O3S/c21-15-8-7-14(10-18(15)26-19-16(24-20(26)27)11-22-12-23-19)30(28,29)25-9-3-5-13-4-1-2-6-17(13)25/h1-2,4,6-8,10-12H,3,5,9H2,(H,24,27)