2-ethoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 2-ethoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C19H25N7O3S MolecularWeight: 431.5119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCCOC

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCCOC

InChI

InChI=1S/C19H25N7O3S/c1-4-29-18-13(6-5-7-22-18)17(27)21-8-10-26-16-14(12-23-26)15(20-9-11-28-2)24-19(25-16)30-3/h5-7,12H,4,8-11H2,1-3H3,(H,21,27)(H,20,24,25)