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

Systemtic Name: 3-methyl-1-(2-methylprop-2-enyl)-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3-methyl-1-(2-methylallyl)-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-(2-methylprop-2-enyl)-7-propyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(2-methylprop-2-enyl)-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3-methyl-1-(2-methylallyl)-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC(=C)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC(=C)C)C

InChI

InChI=1S/C19H26N6O2/c1-8-9-23-15-16(20-18(23)25-14(6)12(4)13(5)21-25)22(7)19(27)24(17(15)26)10-11(2)3/h2,8-10H2,1,3-7H3