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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1S)-2-methyl-1-thiophen-2-yl-propyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)[C@@H](C1=CC=CS1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O3S/c1-10(2)13(11-6-5-7-26-11)19-12(23)8-22-9-18-15-14(22)16(24)21(4)17(25)20(15)3/h5-7,9-10,13H,8H2,1-4H3,(H,19,23)/t13-/m0/s1