3-[phenyl(7H-purin-6-yl)amino]propanethioamide

Systemtic Name: 3-[phenyl(7H-purin-6-yl)amino]propanethioamide Openeye Name: 3-[N-(7H-purin-6-yl)anilino]propanethioamide CAS Name: 3-[N-(7H-purin-6-yl)anilino]propanethioamide IUPAC Name: 3-[N-(7H-purin-6-yl)anilino]propanethioamide Traditional Name: 3-[N-(7H-purin-6-yl)anilino]thiopropionamide Formula: C14H14N6S MolecularWeight: 298.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=S)N)C2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=S)N)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H14N6S/c15-11(21)6-7-20(10-4-2-1-3-5-10)14-12-13(17-8-16-12)18-9-19-14/h1-5,8-9H,6-7H2,(H2,15,21)(H,16,17,18,19)