[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O4S/c1-24-19-16(12-23-24)20(28)25(14-22-19)10-8-18(27)29-13-17(26)21-9-5-11-30-15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3,(H,21,26)