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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-methoxypropyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(3-methoxypropyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(3-methoxypropyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(3-methoxypropyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(3-methoxypropyl)propionamide Formula: C21H35N5O4 MolecularWeight: 421.5337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O4/c1-4-6-8-14-25-16(10-11-17(27)22-12-9-15-30-3)23-19-18(25)20(28)24-21(29)26(19)13-7-5-2/h4-15H2,1-3H3,(H,22,27)(H,24,28,29)