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

Systemtic Name: ethyl 3-phenyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]propanoate Openeye Name: ethyl 3-phenyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]propanoate CAS Name: 2-[[oxo-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]anilino]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]propanoate Traditional Name: 3-phenyl-2-[[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]carbamoylamino]propionic acid ethyl ester Formula: C24H24N6O3S MolecularWeight: 476.55076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C24H24N6O3S/c1-2-33-23(31)20(12-16-7-4-3-5-8-16)29-24(32)28-18-10-6-9-17(11-18)14-34-22-19-13-27-30-21(19)25-15-26-22/h3-11,13,15,20H,2,12,14H2,1H3,(H2,28,29,32)(H,25,26,27,30)