N-(4,6-dimethoxypyrimidin-5-yl)-2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanamide

Systemtic Name: N-(4,6-dimethoxypyrimidin-5-yl)-2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanamide Openeye Name: N-(4,6-dimethoxypyrimidin-5-yl)-2-(2-dodecyltetrazol-5-yl)-2-phenyl-acetamide CAS Name: N-(4,6-dimethoxy-5-pyrimidinyl)-2-(2-dodecyl-5-tetrazolyl)-2-phenylacetamide IUPAC Name: N-(4,6-dimethoxypyrimidin-5-yl)-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide Traditional Name: N-(4,6-dimethoxypyrimidin-5-yl)-2-(2-lauryltetrazol-5-yl)-2-phenyl-acetamide Formula: C27H39N7O3 MolecularWeight: 509.64366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)NC3=C(N=CN=C3OC)OC

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)NC3=C(N=CN=C3OC)OC

InChI

InChI=1S/C27H39N7O3/c1-4-5-6-7-8-9-10-11-12-16-19-34-32-24(31-33-34)22(21-17-14-13-15-18-21)25(35)30-23-26(36-2)28-20-29-27(23)37-3/h13-15,17-18,20,22H,4-12,16,19H2,1-3H3,(H,30,35)