8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione

Systemtic Name: 8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione Openeye Name: 8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione CAS Name: 8-(1-phenethyl-4-pyrazolyl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione IUPAC Name: 8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione Traditional Name: 8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)xanthine Formula: C28H40N6O3Si MolecularWeight: 536.7411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN(N=C3)CCC4=CC=CC=C4)COCC[Si](C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN(N=C3)CCC4=CC=CC=C4)COCC[Si](C)(C)C

InChI

InChI=1S/C28H40N6O3Si/c1-6-14-32-26-24(27(35)33(15-7-2)28(32)36)34(21-37-17-18-38(3,4)5)25(30-26)23-19-29-31(20-23)16-13-22-11-9-8-10-12-22/h8-12,19-20H,6-7,13-18,21H2,1-5H3