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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1,7-bis(prop-2-enyl)purine-2,6-dione Openeye Name: 1,7-diallyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1,7-bis(prop-2-enyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1,7-bis(prop-2-enyl)purine-2,6-dione Traditional Name: 1,7-diallyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C17H20N6O2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC=C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC=C)C

InChI

InChI=1S/C17H20N6O2/c1-6-8-21-13-14(18-16(21)23-12(4)10-11(3)19-23)20(5)17(25)22(9-7-2)15(13)24/h6-7,10H,1-2,8-9H2,3-5H3