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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-3-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine Openeye Name: N-[4-[4-amino-1-(3-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine CAS Name: N-[4-[4-amino-1-(3-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine IUPAC Name: N-[4-(4-amino-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine Traditional Name: [4-[4-amino-1-(3-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-(5,7-dimethyl-1,3-benzoxazol-2-yl)amine Formula: C25H26N8O MolecularWeight: 454.52694

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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)C6CCCNC6)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CCCNC6)C

InChI

InChI=1S/C25H26N8O/c1-14-10-15(2)22-19(11-14)31-25(34-22)30-17-7-5-16(6-8-17)21-20-23(26)28-13-29-24(20)33(32-21)18-4-3-9-27-12-18/h5-8,10-11,13,18,27H,3-4,9,12H2,1-2H3,(H,30,31)(H2,26,28,29)