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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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