N4-(2,5-dimethylphenyl)-1-methyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethylphenyl)-1-methyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(2,5-dimethylphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-1-methyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-1-methyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(2,5-dimethylanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C17H20N6 MolecularWeight: 308.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC(=NC3=C2C=NN3C)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC(=NC3=C2C=NN3C)NCC=C

InChI

InChI=1S/C17H20N6/c1-5-8-18-17-21-15(13-10-19-23(4)16(13)22-17)20-14-9-11(2)6-7-12(14)3/h5-7,9-10H,1,8H2,2-4H3,(H2,18,20,21,22)