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

Systemtic Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-1-yl]ethanamide Openeye Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethyl-purin-1-yl]acetamide CAS Name: 2-[8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-2,6-dioxo-7-phenethyl-1-purinyl]acetamide IUPAC Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethylpurin-1-yl]acetamide Traditional Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-2,6-diketo-3-methyl-7-phenethyl-purin-1-yl]acetamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)N)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)N)C

InChI

InChI=1S/C21H23N7O3/c1-13-11-14(2)28(24-13)20-23-18-17(26(20)10-9-15-7-5-4-6-8-15)19(30)27(12-16(22)29)21(31)25(18)3/h4-8,11H,9-10,12H2,1-3H3,(H2,22,29)