8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC(=C)C)C(=O)N(C(=O)N3C)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC(=C)C)C(=O)N(C(=O)N3C)C)CC

InChI

InChI=1S/C18H24N6O2/c1-7-12-9-13(8-2)24(20-12)17-19-15-14(23(17)10-11(3)4)16(25)22(6)18(26)21(15)5/h9H,3,7-8,10H2,1-2,4-6H3