tert-butyl N-[2-[4-[4-azanyl-3-[3-fluoranyl-4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[2-[4-[4-azanyl-3-[3-fluoranyl-4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[2-[4-[4-amino-3-[3-fluoro-4-(m-tolylcarbamoylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]-2-oxo-ethyl]-N-methyl-carbamate CAS Name: N-[2-[4-[4-amino-3-[3-fluoro-4-[[(3-methylanilino)-oxomethyl]amino]phenyl]-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-oxoethyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[4-amino-3-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]-N-methylcarbamate Traditional Name: N-[2-[4-[4-amino-3-[3-fluoro-4-(m-tolylcarbamoylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidino]-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C32H38FN9O4 MolecularWeight: 631.700423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCN(CC5)C(=O)CN(C)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCN(CC5)C(=O)CN(C)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C32H38FN9O4/c1-19-7-6-8-21(15-19)37-30(44)38-24-10-9-20(16-23(24)33)27-26-28(34)35-18-36-29(26)42(39-27)22-11-13-41(14-12-22)25(43)17-40(5)31(45)46-32(2,3)4/h6-10,15-16,18,22H,11-14,17H2,1-5H3,(H2,34,35,36)(H2,37,38,44)