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

Systemtic Name: N-butyl-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide Openeye Name: N-butyl-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanamide CAS Name: N-butyl-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanamide IUPAC Name: N-butyl-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-butyl-propionamide Formula: C21H35N5O3 MolecularWeight: 405.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCC

InChI

InChI=1S/C21H35N5O3/c1-4-7-10-15-25-16(11-12-17(27)22-13-8-5-2)23-19-18(25)20(28)24-21(29)26(19)14-9-6-3/h4-15H2,1-3H3,(H,22,27)(H,24,28,29)