2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-(phenylthio)ethyl]acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O3S/c1-20-15-14(16(24)21(2)17(20)25)22(11-19-15)10-13(23)18-8-9-26-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,23)