3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(4-methylthiazol-2-yl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(4-methyl-2-thiazolyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(4-methylthiazol-2-yl)propionamide Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC(=CS3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC(=CS3)C

InChI

InChI=1S/C21H30N6O3S/c1-4-6-8-12-26-15(9-10-16(28)24-20-22-14(3)13-31-20)23-18-17(26)19(29)25-21(30)27(18)11-7-5-2/h13H,4-12H2,1-3H3,(H,22,24,28)(H,25,29,30)