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

Systemtic Name: 1,3-dimethyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2/c1-7-8-21-12-13(19(5)16(24)20(6)14(12)23)17-15(21)22-11(4)9(2)10(3)18-22/h7H,1,8H2,2-6H3