6-azanyl-5-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyl-1-methyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyl-1-methyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-1-methyl-pyrimidine-2,4-quinone Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3)N

InChI

InChI=1S/C21H19ClN4O5S/c1-25-19(23)17(20(28)24-21(25)29)18(27)13-6-7-15(22)16(10-13)32(30,31)26-9-8-12-4-2-3-5-14(12)11-26/h2-7,10H,8-9,11,23H2,1H3,(H,24,28,29)