4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(1,6-dimethyl-4-pyrazolo[3,4-d]pyrimidinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C16H17N5O MolecularWeight: 295.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C)C(=N1)N3CCOC4=CC=CC=C4C3

Isomeric SMILES

CC1=NC2=C(C=NN2C)C(=N1)N3CCOC4=CC=CC=C4C3

InChI

InChI=1S/C16H17N5O/c1-11-18-15-13(9-17-20(15)2)16(19-11)21-7-8-22-14-6-4-3-5-12(14)10-21/h3-6,9H,7-8,10H2,1-2H3