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

Systemtic Name: 2-ethoxy-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C21H29N7O2S MolecularWeight: 443.56566

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2S/c1-5-30-20-15(8-7-9-23-20)19(29)22-10-11-28-18-16(13-25-28)17(24-12-14(3)4)26-21(27-18)31-6-2/h7-9,13-14H,5-6,10-12H2,1-4H3,(H,22,29)(H,24,26,27)