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

Systemtic Name: 1-ethyl-3-methyl-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-ethyl-7-isopropyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-ethyl-3-methyl-7-propan-2-yl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-methyl-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-ethyl-7-isopropyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C(C)C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C(C)C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

InChI

InChI=1S/C17H24N6O2/c1-8-21-15(24)13-14(20(7)17(21)25)18-16(22(13)9(2)3)23-12(6)10(4)11(5)19-23/h9H,8H2,1-7H3