3-[1H-indazol-4-yl-[2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propan-1-ol

Systemtic Name: 3-[1H-indazol-4-yl-[2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 3-[1H-indazol-4-yl-[2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propan-1-ol CAS Name: 3-[1H-indazol-4-yl-[2-[(1-methyl-5-indazolyl)amino]-4-pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[1H-indazol-4-yl-[2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propan-1-ol Traditional Name: 3-[1H-indazol-4-yl-[2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propan-1-ol Formula: C22H22N8O MolecularWeight: 414.46308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC3=NC=CC(=N3)N(CCCO)C4=CC=CC5=C4C=NN5)C=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC3=NC=CC(=N3)N(CCCO)C4=CC=CC5=C4C=NN5)C=N1

InChI

InChI=1S/C22H22N8O/c1-29-19-7-6-16(12-15(19)13-25-29)26-22-23-9-8-21(27-22)30(10-3-11-31)20-5-2-4-18-17(20)14-24-28-18/h2,4-9,12-14,31H,3,10-11H2,1H3,(H,24,28)(H,23,26,27)