N4-(3,4-dimethylphenyl)-N6-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N6-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-N6-(2-furylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-N6-(2-furanylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3,4-dimethylanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-furfuryl)amine Formula: C18H18N6O MolecularWeight: 334.37512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CC=CO4)C

InChI

InChI=1S/C18H18N6O/c1-11-5-6-13(8-12(11)2)21-16-15-10-20-24-17(15)23-18(22-16)19-9-14-4-3-7-25-14/h3-8,10H,9H2,1-2H3,(H3,19,20,21,22,23,24)