2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanamide

Systemtic Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanamide Openeye Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide CAS Name: 2-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: 2-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N)C

InChI

InChI=1S/C15H15N5OS/c1-9-3-4-12(10(2)5-9)20-14-11(6-19-20)15(18-8-17-14)22-7-13(16)21/h3-6,8H,7H2,1-2H3,(H2,16,21)