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

Systemtic Name: N3-(3-azanylpropyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N3-(3-aminopropyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N3-(3-aminopropyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 3-N-(3-aminopropyl)-4-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: 3-aminopropyl-[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amine Formula: C14H16ClN7 MolecularWeight: 317.77674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN7/c15-9-3-1-4-10(7-9)20-12-11-13(17-6-2-5-16)21-22-14(11)19-8-18-12/h1,3-4,7-8H,2,5-6,16H2,(H3,17,18,19,20,21,22)