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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-[3-(phenylthio)propyl]acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3S/c1-21-12-20-16-15(21)17(25)23(18(26)22(16)2)11-14(24)19-9-6-10-27-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,24)