N-[8-acetamido-6-oxidanylidene-9-(thiophen-2-ylmethyl)-3H-purin-2-yl]ethanamide

Systemtic Name: N-[8-acetamido-6-oxidanylidene-9-(thiophen-2-ylmethyl)-3H-purin-2-yl]ethanamide Openeye Name: N-[8-acetamido-6-oxo-9-(2-thienylmethyl)-3H-purin-2-yl]acetamide CAS Name: N-[8-acetamido-6-oxo-9-(thiophen-2-ylmethyl)-3H-purin-2-yl]acetamide IUPAC Name: N-[8-acetamido-6-oxo-9-(thiophen-2-ylmethyl)-3H-purin-2-yl]acetamide Traditional Name: N-[8-acetamido-6-keto-9-(2-thenyl)-3H-purin-2-yl]acetamide Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)NC(=O)C)CC3=CC=CS3

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)NC(=O)C)CC3=CC=CS3

InChI

InChI=1S/C14H14N6O3S/c1-7(21)15-13-18-11-10(12(23)19-13)17-14(16-8(2)22)20(11)6-9-4-3-5-24-9/h3-5H,6H2,1-2H3,(H,16,17,22)(H2,15,18,19,21,23)