1-[2-[4-(4-decylphenyl)pyrimidin-2-yl]thiophen-3-yl]-2,6-dimethyl-heptan-1-one

Systemtic Name: 1-[2-[4-(4-decylphenyl)pyrimidin-2-yl]thiophen-3-yl]-2,6-dimethyl-heptan-1-one Openeye Name: 1-[2-[4-(4-decylphenyl)pyrimidin-2-yl]-3-thienyl]-2,6-dimethyl-heptan-1-one CAS Name: 1-[2-[4-(4-decylphenyl)-2-pyrimidinyl]-3-thiophenyl]-2,6-dimethyl-1-heptanone IUPAC Name: 1-[2-[4-(4-decylphenyl)pyrimidin-2-yl]thiophen-3-yl]-2,6-dimethylheptan-1-one Traditional Name: 1-[2-[4-(4-decylphenyl)pyrimidin-2-yl]-3-thienyl]-2,6-dimethyl-heptan-1-one Formula: C33H46N2OS MolecularWeight: 518.79614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC(=NC=C2)C3=C(C=CS3)C(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC(=NC=C2)C3=C(C=CS3)C(=O)C(C)CCCC(C)C

InChI

InChI=1S/C33H46N2OS/c1-5-6-7-8-9-10-11-12-16-27-17-19-28(20-18-27)30-21-23-34-33(35-30)32-29(22-24-37-32)31(36)26(4)15-13-14-25(2)3/h17-26H,5-16H2,1-4H3