N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-diketo-1H-pyrimidine-6-carboxamide Formula: C17H20N4O5S MolecularWeight: 392.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)NC(=O)N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)NC(=O)N3

InChI

InChI=1S/C17H20N4O5S/c22-15-11-14(19-17(24)20-15)16(23)18-12-5-7-13(8-6-12)27(25,26)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10H2,(H,18,23)(H2,19,20,22,24)