3-[[4-[(3-methoxyphenyl)amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-[(3-methoxyphenyl)amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 3-[[4-(3-methoxyanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 3-[[4-(3-methoxyanilino)-1-methyl-6-pyrazolo[3,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(3-methoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 3-[[4-(m-anisidino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCCCO)NC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCCCO)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C16H20N6O2/c1-22-15-13(10-18-22)14(20-16(21-15)17-7-4-8-23)19-11-5-3-6-12(9-11)24-2/h3,5-6,9-10,23H,4,7-8H2,1-2H3,(H2,17,19,20,21)