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

Systemtic Name: 6-azanyl-5-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)benzoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)benzoyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[3-(azepan-1-ylsulfonyl)benzoyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C21H28N4O5S/c1-3-11-25-19(22)17(20(27)23(2)21(25)28)18(26)15-9-8-10-16(14-15)31(29,30)24-12-6-4-5-7-13-24/h8-10,14H,3-7,11-13,22H2,1-2H3