3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1H-pteridine-2,4-dione

Systemtic Name: 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1H-pteridine-2,4-dione Openeye Name: 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1H-pteridine-2,4-dione CAS Name: 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1H-pteridine-2,4-dione IUPAC Name: 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1H-pteridine-2,4-dione Traditional Name: 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1H-pteridine-2,4-quinone Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)N4C(=O)C5=NC=CN=C5NC4=O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)N4C(=O)C5=NC=CN=C5NC4=O

InChI

InChI=1S/C21H17N5O4S/c27-20-18-19(23-11-10-22-18)24-21(28)26(20)15-7-3-8-16(13-15)31(29,30)25-12-4-6-14-5-1-2-9-17(14)25/h1-3,5,7-11,13H,4,6,12H2,(H,23,24,28)