N-(4-ethylphenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H21N5O3S/c1-5-11-6-8-12(9-7-11)19-13(24)10-27-17-20-14-15(21(17)2)22(3)18(26)23(4)16(14)25/h6-9H,5,10H2,1-4H3,(H,19,24)