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

Systemtic Name: 1-butyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-butyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-butyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-butyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-butyl-7-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2CCOCC)N3C(=C(C(=N3)C)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2CCOCC)N3C(=C(C(=N3)C)C)C)N(C1=O)C

InChI

InChI=1S/C20H30N6O3/c1-7-9-10-25-18(27)16-17(23(6)20(25)28)21-19(24(16)11-12-29-8-2)26-15(5)13(3)14(4)22-26/h7-12H2,1-6H3