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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)C2=C(C=CS2)C(=O)C(C)CCCC(C)C)C3=NC=CC=N3

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C2=C(C=CS2)C(=O)C(C)CCCC(C)C)C3=NC=CC=N3

InChI

InChI=1S/C33H46N2OS/c1-5-6-7-8-9-10-11-12-17-27-18-19-28(30(24-27)33-34-21-14-22-35-33)32-29(20-23-37-32)31(36)26(4)16-13-15-25(2)3/h14,18-26H,5-13,15-17H2,1-4H3