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

Systemtic Name: 2-[8-(3,5-diethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-1-yl]ethanamide Openeye Name: 2-[7-allyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-2,6-dioxo-purin-1-yl]acetamide CAS Name: 2-[8-(3,5-diethyl-1-pyrazolyl)-3-methyl-2,6-dioxo-7-prop-2-enyl-1-purinyl]acetamide IUPAC Name: 2-[8-(3,5-diethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-prop-2-enylpurin-1-yl]acetamide Traditional Name: 2-[7-allyl-8-(3,5-diethylpyrazol-1-yl)-2,6-diketo-3-methyl-purin-1-yl]acetamide Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC(=O)N)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC(=O)N)CC

InChI

InChI=1S/C18H23N7O3/c1-5-8-23-14-15(22(4)18(28)24(16(14)27)10-13(19)26)20-17(23)25-12(7-3)9-11(6-2)21-25/h5,9H,1,6-8,10H2,2-4H3,(H2,19,26)