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

Systemtic Name: 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(2-methylallyl)purin-8-yl]thio]-N-phenyl-acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H21N5O3S/c1-12(2)10-24-15-16(22(3)19(27)23(4)17(15)26)21-18(24)28-11-14(25)20-13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3,(H,20,25)