2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[(E)-3-phenylprop-2-enyl]purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[(E)-3-phenylprop-2-enyl]purin-8-yl]sulfanylethanamide Openeye Name: 2-[7-[(E)-cinnamyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetamide CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-[(E)-3-phenylprop-2-enyl]-8-purinyl]thio]acetamide IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-7-[(E)-3-phenylprop-2-enyl]purin-8-yl]sulfanylacetamide Traditional Name: 2-[[7-[(E)-cinnamyl]-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O3S/c1-21-15-14(16(25)22(2)18(21)26)23(17(20-15)27-11-13(19)24)10-6-9-12-7-4-3-5-8-12/h3-9H,10-11H2,1-2H3,(H2,19,24)/b9-6+