N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)propionamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=O)N1C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H28N4O4S/c1-15-14-16(2)25(21(27)22-15)17(3)20(26)23-18-8-10-19(11-9-18)30(28,29)24-12-6-4-5-7-13-24/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,23,26)