[4-[4-azanyl-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

Systemtic Name: [4-[4-azanyl-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone Openeye Name: [4-[4-amino-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]-(1-methylpyrrolidin-2-yl)methanone CAS Name: [4-[4-amino-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-(1-methyl-2-pyrrolidinyl)methanone IUPAC Name: [4-[4-amino-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone Traditional Name: [4-[4-amino-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidino]-(1-methylpyrrolidin-2-yl)methanone Formula: C31H35N9O2 MolecularWeight: 565.6687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCN(CC6)C(=O)C7CCCN7C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCN(CC6)C(=O)C7CCCN7C)C

InChI

InChI=1S/C31H35N9O2/c1-18-15-19(2)27-23(16-18)36-31(42-27)35-21-8-6-20(7-9-21)26-25-28(32)33-17-34-29(25)40(37-26)22-10-13-39(14-11-22)30(41)24-5-4-12-38(24)3/h6-9,15-17,22,24H,4-5,10-14H2,1-3H3,(H,35,36)(H2,32,33,34)