3-butyl-7-(2-methoxyethyl)-8-(1-methylpyrazol-4-yl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-8-(1-methylpyrazol-4-yl)purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-8-(1-methylpyrazol-4-yl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-8-(1-methyl-4-pyrazolyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-8-(1-methylpyrazol-4-yl)purine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-8-(1-methylpyrazol-4-yl)xanthine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CN(N=C3)C)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CN(N=C3)C)CCOC

InChI

InChI=1S/C16H22N6O3/c1-4-5-6-22-14-12(15(23)19-16(22)24)21(7-8-25-3)13(18-14)11-9-17-20(2)10-11/h9-10H,4-8H2,1-3H3,(H,19,23,24)