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

Systemtic Name: 6-azanyl-5-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H23ClN4O5S MolecularWeight: 454.92772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C19H23ClN4O5S/c1-22-17(21)15(18(26)23(2)19(22)27)16(25)12-7-8-13(20)14(11-12)30(28,29)24-9-5-3-4-6-10-24/h7-8,11H,3-6,9-10,21H2,1-2H3