2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-1-yl]ethanamide

Systemtic Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-1-yl]ethanamide Openeye Name: 2-[7-allyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-purin-1-yl]acetamide CAS Name: 2-[8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-2,6-dioxo-7-prop-2-enyl-1-purinyl]acetamide IUPAC Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-prop-2-enylpurin-1-yl]acetamide Traditional Name: 2-[7-allyl-8-(3,5-dimethylpyrazol-1-yl)-2,6-diketo-3-methyl-purin-1-yl]acetamide Formula: C16H19N7O3 MolecularWeight: 357.36716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N7O3/c1-5-6-21-12-13(18-15(21)23-10(3)7-9(2)19-23)20(4)16(26)22(14(12)25)8-11(17)24/h5,7H,1,6,8H2,2-4H3,(H2,17,24)