azanyl-[6-[[3,5-bis(fluoranyl)phenyl]amino]-9-ethyl-purin-2-yl]methanethiol

Systemtic Name: azanyl-[6-[[3,5-bis(fluoranyl)phenyl]amino]-9-ethyl-purin-2-yl]methanethiol Openeye Name: amino-[6-(3,5-difluoroanilino)-9-ethyl-purin-2-yl]methanethiol CAS Name: amino-[6-(3,5-difluoroanilino)-9-ethyl-2-purinyl]methanethiol IUPAC Name: amino-[6-(3,5-difluoroanilino)-9-ethylpurin-2-yl]methanethiol Traditional Name: amino-[6-(3,5-difluoroanilino)-9-ethyl-purin-2-yl]methanethiol Formula: C14H14F2N6S MolecularWeight: 336.362966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC(=C3)F)F)C(N)S

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC(=C3)F)F)C(N)S

InChI

InChI=1S/C14H14F2N6S/c1-2-22-6-18-10-12(20-13(11(17)23)21-14(10)22)19-9-4-7(15)3-8(16)5-9/h3-6,11,23H,2,17H2,1H3,(H,19,20,21)