4-acetamido-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 4-acetamido-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: 4-acetamido-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 4-acetamido-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-acetamido-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Traditional Name: 4-acetamido-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C20H25N7O3S MolecularWeight: 443.5226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCCOC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCCOC

InChI

InChI=1S/C20H25N7O3S/c1-13(28)24-15-6-4-14(5-7-15)19(29)22-8-10-27-18-16(12-23-27)17(21-9-11-30-2)25-20(26-18)31-3/h4-7,12H,8-11H2,1-3H3,(H,22,29)(H,24,28)(H,21,25,26)