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

Systemtic Name: 3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-propyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H20N6O2/c1-6-7-20-11-12(19(5)15(23)17-13(11)22)16-14(20)21-10(4)8(2)9(3)18-21/h6-7H2,1-5H3,(H,17,22,23)