5-(4-azanyl-6-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

Systemtic Name: 5-(4-azanyl-6-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine Openeye Name: 5-(4-amino-1-isopropyl-6-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine CAS Name: 5-(4-amino-6-methyl-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine IUPAC Name: 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine Traditional Name: [3-(2-amino-1,3-benzoxazol-5-yl)-1-isopropyl-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H17N7O MolecularWeight: 323.35248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(C)C)C3=CC4=C(C=C3)OC(=N4)N)C(=N1)N

Isomeric SMILES

CC1=NC2=C(C(=NN2C(C)C)C3=CC4=C(C=C3)OC(=N4)N)C(=N1)N

InChI

InChI=1S/C16H17N7O/c1-7(2)23-15-12(14(17)19-8(3)20-15)13(22-23)9-4-5-11-10(6-9)21-16(18)24-11/h4-7H,1-3H3,(H2,18,21)(H2,17,19,20)