1-[3-[5-(2-azanylpyrimidin-4-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-4-ol

Systemtic Name: 1-[3-[5-(2-azanylpyrimidin-4-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-4-ol Openeye Name: 1-[3-[5-(2-aminopyrimidin-4-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-4-ol CAS Name: 1-[3-[5-(2-amino-4-pyrimidinyl)-2,1-benzoxazol-3-yl]phenyl]-4-piperidinol IUPAC Name: 1-[3-[5-(2-aminopyrimidin-4-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-4-ol Traditional Name: 1-[3-[5-(2-aminopyrimidin-4-yl)anthranil-3-yl]phenyl]piperidin-4-ol Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=CC=CC(=C2)C3=C4C=C(C=CC4=NO3)C5=NC(=NC=C5)N

Isomeric SMILES

C1CN(CCC1O)C2=CC=CC(=C2)C3=C4C=C(C=CC4=NO3)C5=NC(=NC=C5)N

InChI

InChI=1S/C22H21N5O2/c23-22-24-9-6-19(25-22)14-4-5-20-18(13-14)21(29-26-20)15-2-1-3-16(12-15)27-10-7-17(28)8-11-27/h1-6,9,12-13,17,28H,7-8,10-11H2,(H2,23,24,25)