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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(2-pyrrolidin-1-ylbutyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-[2-(1-pyrrolidinyl)butyl]propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(2-pyrrolidinobutyl)propionamide Formula: C24H40N6O3 MolecularWeight: 460.6128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCC(CC)N3CCCC3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCC(CC)N3CCCC3)CC(C)C

InChI

InChI=1S/C24H40N6O3/c1-5-7-14-29-22-21(23(32)27-24(29)33)30(16-17(3)4)19(26-22)10-11-20(31)25-15-18(6-2)28-12-8-9-13-28/h17-18H,5-16H2,1-4H3,(H,25,31)(H,27,32,33)