6-azanyl-5-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-1-(2-methoxyethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-1-(2-methoxyethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)benzoyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione CAS Name: 6-amino-5-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)benzoyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione Traditional Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)benzoyl]-1-(2-methoxyethyl)pyrimidine-2,4-quinone Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)NC1=O)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

COCCN1C(=C(C(=O)NC1=O)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C20H26N4O6S/c1-30-12-11-24-18(21)16(19(26)22-20(24)27)17(25)14-7-6-8-15(13-14)31(28,29)23-9-4-2-3-5-10-23/h6-8,13H,2-5,9-12,21H2,1H3,(H,22,26,27)