7-(2-ethoxyethyl)-3-methyl-1-(phenylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-1-(phenylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-benzyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-1-(phenylmethyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-benzyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6O3/c1-6-32-13-12-27-19-20(24-22(27)29-17(4)15(2)16(3)25-29)26(5)23(31)28(21(19)30)14-18-10-8-7-9-11-18/h7-11H,6,12-14H2,1-5H3