8-(3,5-dimethylpyrazol-1-yl)-1-(2-ethoxyethyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-ethoxyethyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(3,5-dimethylpyrazol-1-yl)-1-(2-ethoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-(2-ethoxyethyl)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-ethoxyethyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(3,5-dimethylpyrazol-1-yl)-1-(2-ethoxyethyl)-3-methyl-xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C(N2CC=C)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C(N2CC=C)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

InChI=1S/C18H24N6O3/c1-6-8-22-14-15(19-17(22)24-13(4)11-12(3)20-24)21(5)18(26)23(16(14)25)9-10-27-7-2/h6,11H,1,7-10H2,2-5H3