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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(6-pyrazol-1-ylpyridin-3-yl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(6-pyrazol-1-yl-3-pyridyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[6-(1-pyrazolyl)-3-pyridinyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(6-pyrazol-1-ylpyridin-3-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(6-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=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

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