1,3-dimethyl-2,6-bis(oxidanylidene)-N-phenyl-purine-9-carbothioamide

Systemtic Name: 1,3-dimethyl-2,6-bis(oxidanylidene)-N-phenyl-purine-9-carbothioamide Openeye Name: 1,3-dimethyl-2,6-dioxo-N-phenyl-purine-9-carbothioamide CAS Name: 1,3-dimethyl-2,6-dioxo-N-phenyl-9-purinecarbothioamide IUPAC Name: 1,3-dimethyl-2,6-dioxo-N-phenylpurine-9-carbothioamide Traditional Name: 2,6-diketo-1,3-dimethyl-N-phenyl-purine-9-carbothioamide Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C(=S)NC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C14H13N5O2S/c1-17-11-10(12(20)18(2)14(17)21)15-8-19(11)13(22)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,22)