3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propionamide Formula: C26H33N7O3 MolecularWeight: 491.58532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C26H33N7O3/c1-3-5-7-16-32-21(29-24-23(32)25(35)30-26(36)33(24)15-6-4-2)11-12-22(34)28-19-10-8-9-18(17-19)20-13-14-27-31-20/h8-10,13-14,17H,3-7,11-12,15-16H2,1-2H3,(H,27,31)(H,28,34)(H,30,35,36)