ethyl 4-methylsulfanyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]butanoate

Systemtic Name: ethyl 4-methylsulfanyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]butanoate Openeye Name: ethyl 4-methylsulfanyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]anilino]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]butanoate Traditional Name: 4-(methylthio)-2-[[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]carbamoylamino]butyric acid ethyl ester Formula: C20H24N6O3S2 MolecularWeight: 460.57296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C20H24N6O3S2/c1-3-29-19(27)16(7-8-30-2)25-20(28)24-14-6-4-5-13(9-14)11-31-18-15-10-23-26-17(15)21-12-22-18/h4-6,9-10,12,16H,3,7-8,11H2,1-2H3,(H2,24,25,28)(H,21,22,23,26)