2-(4-heptoxyphenyl)-5-(2-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(4-heptoxyphenyl)-5-(2-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(4-heptoxyphenyl)-4-hydroxy-5-(2-methylbutyl)-1H-pyrimidin-6-one CAS Name: 2-(4-heptoxyphenyl)-4-hydroxy-5-(2-methylbutyl)-1H-pyrimidin-6-one IUPAC Name: 2-(4-heptoxyphenyl)-4-hydroxy-5-(2-methylbutyl)-1H-pyrimidin-6-one Traditional Name: 2-(4-heptoxyphenyl)-4-hydroxy-5-(2-methylbutyl)-1H-pyrimidin-6-one Formula: C22H32N2O3 MolecularWeight: 372.50108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC(=C(C(=O)N2)CC(C)CC)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC(=C(C(=O)N2)CC(C)CC)O

InChI

InChI=1S/C22H32N2O3/c1-4-6-7-8-9-14-27-18-12-10-17(11-13-18)20-23-21(25)19(22(26)24-20)15-16(3)5-2/h10-13,16H,4-9,14-15H2,1-3H3,(H2,23,24,25,26)