2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]ethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]ethanamide Openeye Name: 2-[7-allyl-3-methyl-2,6-dioxo-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide CAS Name: 2-[3-methyl-2,6-dioxo-7-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)-1-purinyl]acetamide IUPAC Name: 2-[3-methyl-2,6-dioxo-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide Traditional Name: 2-[7-allyl-2,6-diketo-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide Formula: C17H21N7O3 MolecularWeight: 371.39374

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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)CC(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N7O3/c1-6-7-22-13-14(19-16(22)24-11(4)9(2)10(3)20-24)21(5)17(27)23(15(13)26)8-12(18)25/h6H,1,7-8H2,2-5H3,(H2,18,25)