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

Systemtic Name: 3-[[4-[(3-methoxyphenyl)amino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 3-[[4-(3-methoxyanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 3-[[4-(3-methoxyanilino)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 3-[[4-(m-anisidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C21H22N6O2 MolecularWeight: 390.43838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCCO

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCCO

InChI

InChI=1S/C21H22N6O2/c1-29-17-10-5-7-15(13-17)24-19-18-14-23-27(16-8-3-2-4-9-16)20(18)26-21(25-19)22-11-6-12-28/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H2,22,24,25,26)