3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H33N5O5/c1-3-5-7-13-29-20(27-23-22(29)24(32)28-25(33)30(23)12-6-4-2)10-11-21(31)26-17-8-9-18-19(16-17)35-15-14-34-18/h8-9,16H,3-7,10-15H2,1-2H3,(H,26,31)(H,28,32,33)