ethyl 4-[2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O4S/c1-2-31-21(30)26-10-8-14(9-11-26)23-17(28)13-32-20-24-18-16(12-22-25-18)19(29)27(20)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,22,25)(H,23,28)