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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(6-pyrrolidin-1-yl-3-pyridyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(6-pyrrolidino-3-pyridyl)propionamide Formula: C25H35N7O3 MolecularWeight: 481.5905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CN=C(C=C3)N4CCCC4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CN=C(C=C3)N4CCCC4)CC(C)C

InChI

InChI=1S/C25H35N7O3/c1-4-5-14-31-23-22(24(34)29-25(31)35)32(16-17(2)3)20(28-23)10-11-21(33)27-18-8-9-19(26-15-18)30-12-6-7-13-30/h8-9,15,17H,4-7,10-14,16H2,1-3H3,(H,27,33)(H,29,34,35)