4-[2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetyl]amino]benzamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H18N6O2S/c1-13-2-8-16(9-3-13)27-20-17(10-25-27)21(24-12-23-20)30-11-18(28)26-15-6-4-14(5-7-15)19(22)29/h2-10,12H,11H2,1H3,(H2,22,29)(H,26,28)