butyl 4-[3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid butyl ester Formula: C24H31N5O4 MolecularWeight: 453.53404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=NC3=C(C2=O)C=NN3C(C)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=NC3=C(C2=O)C=NN3C(C)(C)C)C

InChI

InChI=1S/C24H31N5O4/c1-6-7-14-33-23(32)17-8-10-18(11-9-17)27-20(30)12-13-28-16(2)26-21-19(22(28)31)15-25-29(21)24(3,4)5/h8-11,15H,6-7,12-14H2,1-5H3,(H,27,30)