2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-methyl-7-(2-methylallyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,6-diketo-3-methyl-7-(2-methylallyl)purin-8-yl]thio]-N-phenyl-acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19N5O3S/c1-11(2)9-23-14-15(22(3)17(26)21-16(14)25)20-18(23)27-10-13(24)19-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3,(H,19,24)(H,21,25,26)