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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]propionamide Formula: C24H35N5O3S MolecularWeight: 473.6314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CC3=C(C=CS3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CC3=C(C=CS3)C

InChI

InChI=1S/C24H35N5O3S/c1-5-7-9-14-28-19(10-11-20(30)27(4)16-18-17(3)12-15-33-18)25-22-21(28)23(31)26-24(32)29(22)13-8-6-2/h12,15H,5-11,13-14,16H2,1-4H3,(H,26,31,32)