N3-(2-azanylethyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N3-(2-azanylethyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N3-(2-aminoethyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N3-(2-aminoethyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 3-N-(2-aminoethyl)-4-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: 2-aminoethyl-[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amine Formula: C13H14ClN7 MolecularWeight: 303.75016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C(=NN3)NCCN

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C(=NN3)NCCN

InChI

InChI=1S/C13H14ClN7/c14-8-2-1-3-9(6-8)19-11-10-12(16-5-4-15)20-21-13(10)18-7-17-11/h1-3,6-7H,4-5,15H2,(H3,16,17,18,19,20,21)