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

Systemtic Name: N4-(3-chloranyl-4-methoxy-phenyl)-1-methyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-methoxy-phenyl)-1-methyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methoxyphenyl)-1-methyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-propyl-amine Formula: C16H19ClN6O MolecularWeight: 346.81466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C16H19ClN6O/c1-4-7-18-16-21-14(11-9-19-23(2)15(11)22-16)20-10-5-6-13(24-3)12(17)8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,18,20,21,22)