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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-pyrazol-1-ylpyridin-3-yl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-pyrazol-1-yl-3-pyridyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[2-(1-pyrazolyl)-3-pyridinyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-pyrazol-1-ylpyridin-3-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-pyrazol-1-yl-3-pyridyl)propionamide Formula: C25H32N8O3 MolecularWeight: 492.57338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C25H32N8O3/c1-3-5-7-16-31-19(29-23-21(31)24(35)30-25(36)32(23)15-6-4-2)11-12-20(34)28-18-10-8-13-26-22(18)33-17-9-14-27-33/h8-10,13-14,17H,3-7,11-12,15-16H2,1-2H3,(H,28,34)(H,30,35,36)