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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(3-methoxyphenyl)methyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[(3-methoxyphenyl)methyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[(3-methoxyphenyl)methyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[(3-methoxyphenyl)methyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-m-anisyl-propionamide Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H35N5O4/c1-4-6-8-15-29-20(12-13-21(31)26-17-18-10-9-11-19(16-18)34-3)27-23-22(29)24(32)28-25(33)30(23)14-7-5-2/h9-11,16H,4-8,12-15,17H2,1-3H3,(H,26,31)(H,28,32,33)