2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N,N'-diphenyl-propanediamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N,N'-diphenyl-propanediamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N,N'-diphenyl-propanediamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N,N'-diphenylpropanediamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N,N'-diphenylpropanediamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N,N'-diphenyl-malonamide Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC(C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC(C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O4S/c1-27-17-15(20(31)28(2)22(27)32)25-21(26-17)33-16(18(29)23-13-9-5-3-6-10-13)19(30)24-14-11-7-4-8-12-14/h3-12,16H,1-2H3,(H,23,29)(H,24,30)(H,25,26)