2-[[5-(2-chloranylethanoyl)furan-2-yl]methyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[5-(2-chloranylethanoyl)furan-2-yl]methyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Openeye Name: 2-[[5-(2-chloroacetyl)-2-furyl]methyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one CAS Name: 2-[[5-(2-chloro-1-oxoethyl)-2-furanyl]methyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one IUPAC Name: 2-[[5-(2-chloroacetyl)furan-2-yl]methyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-2-[[5-(2-chloroacetyl)-2-furyl]methyl]-6-methyl-1H-pyrimidin-4-one Formula: C17H21ClN2O3 MolecularWeight: 336.81324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)CC2=CC=C(O2)C(=O)CCl)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)CC2=CC=C(O2)C(=O)CCl)C

InChI

InChI=1S/C17H21ClN2O3/c1-3-4-5-6-13-11(2)19-16(20-17(13)22)9-12-7-8-15(23-12)14(21)10-18/h7-8H,3-6,9-10H2,1-2H3,(H,19,20,22)