N-[(4-methoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-1-methyl-6-(1-pyrrolidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-methyl-6-pyrrolidino-pyrazolo[3,4-d]pyrimidin-4-yl)-p-anisyl-amine Formula: C18H22N6O MolecularWeight: 338.40688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCCC3)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCCC3)NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C18H22N6O/c1-23-17-15(12-20-23)16(21-18(22-17)24-9-3-4-10-24)19-11-13-5-7-14(25-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,21,22)