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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methylbutyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-isopentyl-propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(3-methylbutyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(3-methylbutyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-isoamyl-propionamide Formula: C21H35N5O3 MolecularWeight: 405.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCCC(C)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCCC(C)C)CC(C)C

InChI

InChI=1S/C21H35N5O3/c1-6-7-12-25-19-18(20(28)24-21(25)29)26(13-15(4)5)16(23-19)8-9-17(27)22-11-10-14(2)3/h14-15H,6-13H2,1-5H3,(H,22,27)(H,24,28,29)