1-[(E)-but-2-enyl]-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-[(E)-but-2-enyl]-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-[(E)-but-2-enyl]-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-[(E)-but-2-enyl]-7-ethyl-3-methyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-[(E)-but-2-enyl]-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-[(E)-but-2-enyl]-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC=CC)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)C/C=C/C)C

InChI

InChI=1S/C18H24N6O2/c1-7-9-10-23-16(25)14-15(21(6)18(23)26)19-17(22(14)8-2)24-13(5)11(3)12(4)20-24/h7,9H,8,10H2,1-6H3/b9-7+