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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-pyridazine-3-carboxamide Formula: C17H22N8O3S MolecularWeight: 418.47338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCCOC

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCCOC

InChI

InChI=1S/C17H22N8O3S/c1-24-13(26)5-4-12(23-24)16(27)19-6-8-25-15-11(10-20-25)14(18-7-9-28-2)21-17(22-15)29-3/h4-5,10H,6-9H2,1-3H3,(H,19,27)(H,18,21,22)