N6-(3-methoxypropyl)-1-methyl-N4-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-1-methyl-N4-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-1-methyl-N4-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-1-methyl-N4-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-anilino-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl)-(3-methoxypropyl)amine Formula: C16H20N6O MolecularWeight: 312.3696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCCCOC)NC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCCCOC)NC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O/c1-22-15-13(11-18-22)14(19-12-7-4-3-5-8-12)20-16(21-15)17-9-6-10-23-2/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,17,19,20,21)