3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-propionamide Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)C(C)C3=CC=CC=C3OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)C(C)C3=CC=CC=C3OC

InChI

InChI=1S/C27H39N5O4/c1-6-8-12-18-31-22(28-25-24(31)26(34)29-27(35)32(25)17-9-7-2)15-16-23(33)30(4)19(3)20-13-10-11-14-21(20)36-5/h10-11,13-14,19H,6-9,12,15-18H2,1-5H3,(H,29,34,35)