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

Systemtic Name: 2-ethoxy-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C20H27N7O3S MolecularWeight: 445.53848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O3S/c1-4-30-19-14(7-6-8-23-19)18(28)22-9-11-27-17-15(13-24-27)16(21-10-12-29-3)25-20(26-17)31-5-2/h6-8,13H,4-5,9-12H2,1-3H3,(H,22,28)(H,21,25,26)