2-[4-azanyl-3-[4-(1,3-benzoxazol-2-ylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-azanyl-3-[4-(1,3-benzoxazol-2-ylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-amino-3-[4-(1,3-benzoxazol-2-ylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-amino-3-[4-(1,3-benzoxazol-2-ylamino)phenyl]-1-pyrazolo[3,4-d]pyrimidinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-amino-3-[4-(1,3-benzoxazol-2-ylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-amino-3-[4-(1,3-benzoxazol-2-ylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]nicotinonitrile Formula: C24H15N9O MolecularWeight: 445.4356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6=C(C=CC=N6)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6=C(C=CC=N6)C#N

InChI

InChI=1S/C24H15N9O/c25-12-15-4-3-11-27-22(15)33-23-19(21(26)28-13-29-23)20(32-33)14-7-9-16(10-8-14)30-24-31-17-5-1-2-6-18(17)34-24/h1-11,13H,(H,30,31)(H2,26,28,29)