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

Systemtic Name: 7-(2-hydroxyethyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-7-(2-hydroxyethyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-7-(2-hydroxyethyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-7-(2-hydroxyethyl)-1,3-dipropyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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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)CCO

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN(N=C3)CC4=CC=CC=C4)CCO

InChI

InChI=1S/C23H28N6O3/c1-3-10-28-21-19(22(31)29(11-4-2)23(28)32)27(12-13-30)20(25-21)18-14-24-26(16-18)15-17-8-6-5-7-9-17/h5-9,14,16,30H,3-4,10-13,15H2,1-2H3