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

Systemtic Name: N4-(3-chlorophenyl)-N6-(3-methoxypropyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(3-methoxypropyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(3-methoxypropyl)amine Formula: C16H19ClN6O MolecularWeight: 346.81466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O/c1-23-15-13(10-19-23)14(20-12-6-3-5-11(17)9-12)21-16(22-15)18-7-4-8-24-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,18,20,21,22)