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

Systemtic Name: N4-(3-chlorophenyl)-1-methyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3-chlorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-1-methyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-1-methyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(3-chloroanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C15H15ClN6 MolecularWeight: 314.7728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCC=C)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCC=C)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H15ClN6/c1-3-7-17-15-20-13(12-9-18-22(2)14(12)21-15)19-11-6-4-5-10(16)8-11/h3-6,8-9H,1,7H2,2H3,(H2,17,19,20,21)