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

Systemtic Name: 3-methyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O2/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/h6H,1,7H2,2-5H3,(H,17,22,23)