3-methyl-7-(2-methylprop-2-enyl)-1-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-1-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-allyl-3-methyl-7-(2-methylallyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-1-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-1-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-allyl-3-methyl-7-(2-methylallyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC(=C)C)C(=O)N(C(=O)N3C)CC=C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC(=C)C)C(=O)N(C(=O)N3C)CC=C)C

InChI

InChI=1S/C19H24N6O2/c1-8-9-23-17(26)15-16(22(7)19(23)27)20-18(24(15)10-11(2)3)25-14(6)12(4)13(5)21-25/h8H,1-2,9-10H2,3-7H3