1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: 1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: (1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)-[4-[(3-methoxypropylamino)methyl]phenyl]amine Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCC1=CC=C(C=C1)NC2=NC=C3C=NN(C3=N2)C4CCCCC4

Isomeric SMILES

COCCCNCC1=CC=C(C=C1)NC2=NC=C3C=NN(C3=N2)C4CCCCC4

InChI

InChI=1S/C22H30N6O/c1-29-13-5-12-23-14-17-8-10-19(11-9-17)26-22-24-15-18-16-25-28(21(18)27-22)20-6-3-2-4-7-20/h8-11,15-16,20,23H,2-7,12-14H2,1H3,(H,24,26,27)