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

Systemtic Name: ethyl 3-methyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]butanoate Openeye Name: ethyl 3-methyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]butanoate CAS Name: 3-methyl-2-[[oxo-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]anilino]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]carbamoylamino]butanoate Traditional Name: 3-methyl-2-[[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]carbamoylamino]butyric acid ethyl ester Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3S/c1-4-29-19(27)16(12(2)3)25-20(28)24-14-7-5-6-13(8-14)10-30-18-15-9-23-26-17(15)21-11-22-18/h5-9,11-12,16H,4,10H2,1-3H3,(H2,24,25,28)(H,21,22,23,26)