1-ethyl-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxamide

Systemtic Name: 1-ethyl-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxamide Openeye Name: 1-ethyl-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide CAS Name: 1-ethyl-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide IUPAC Name: 1-ethyl-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide Traditional Name: 1-ethyl-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-keto-7-methyl-1,8-naphthyridine-3-carboxamide Formula: C25H30N8O2S MolecularWeight: 506.6231

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SCC)N5CCCC5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SCC)N5CCCC5

InChI

InChI=1S/C25H30N8O2S/c1-4-31-15-19(20(34)17-9-8-16(3)28-21(17)31)24(35)26-10-13-33-23-18(14-27-33)22(32-11-6-7-12-32)29-25(30-23)36-5-2/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,26,35)