2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21N5O3S/c1-4-23-14-15(21(2)18(26)22(3)16(14)25)20-17(23)27-11-13(24)19-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,19,24)