3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(2,5-dimethylpyrazol-3-yl)propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(2,5-dimethylpyrazol-3-yl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(2,5-dimethylpyrazol-3-yl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(2,5-dimethyl-3-pyrazolyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(2,5-dimethylpyrazol-3-yl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(2,5-dimethylpyrazol-3-yl)propionamide Formula: C21H31N7O3 MolecularWeight: 429.51594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=NN3C)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=NN3C)C

InChI

InChI=1S/C21H31N7O3/c1-5-7-11-27-15(9-10-17(29)22-16-13-14(3)25-26(16)4)23-19-18(27)20(30)24-21(31)28(19)12-8-6-2/h13H,5-12H2,1-4H3,(H,22,29)(H,24,30,31)