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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-pyrrolidin-1-ylbutyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[2-(1-pyrrolidinyl)butyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-pyrrolidin-1-ylbutyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-pyrrolidinobutyl)propionamide Formula: C25H42N6O3 MolecularWeight: 474.63938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC(CC)N3CCCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC(CC)N3CCCC3

InChI

InChI=1S/C25H42N6O3/c1-4-7-9-17-30-20(12-13-21(32)26-18-19(6-3)29-14-10-11-15-29)27-23-22(30)24(33)28-25(34)31(23)16-8-5-2/h19H,4-18H2,1-3H3,(H,26,32)(H,28,33,34)