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

Systemtic Name: 6-azanyl-5-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonyl-1-methyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-1-methyl-pyrimidine-2,4-quinone Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)N

InChI

InChI=1S/C19H24N4O6S/c1-22-17(20)15(18(25)21-19(22)26)16(24)13-11-12(7-8-14(13)29-2)30(27,28)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,20H2,1-2H3,(H,21,25,26)