8-[1-(phenylmethyl)pyrazol-4-yl]-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)xanthine Formula: C27H38N6O3Si MolecularWeight: 522.71452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN(N=C3)CC4=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)CC4=CC=CC=C4)COCC[Si](C)(C)C

InChI

InChI=1S/C27H38N6O3Si/c1-6-13-31-25-23(26(34)32(14-7-2)27(31)35)33(20-36-15-16-37(3,4)5)24(29-25)22-17-28-30(19-22)18-21-11-9-8-10-12-21/h8-12,17,19H,6-7,13-16,18,20H2,1-5H3