2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1S)-2-methyl-1-thiophen-2-yl-propyl]ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(1S)-2-methyl-1-thiophen-2-yl-propyl]ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]acetamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC(C3=CC=CS3)C(C)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)N[C@H](C3=CC=CS3)C(C)C

InChI

InChI=1S/C23H33N5O3S/c1-5-7-11-26-15-24-21-20(26)22(30)28(23(31)27(21)12-8-6-2)14-18(29)25-19(16(3)4)17-10-9-13-32-17/h9-10,13,15-16,19H,5-8,11-12,14H2,1-4H3,(H,25,29)/t19-/m0/s1