N3-(3-chlorophenyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N3-(3-chlorophenyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: 1-benzyl-N3-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N3-(3-chlorophenyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 1-benzyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: (4-amino-1-benzyl-pyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)amine Formula: C18H15ClN6 MolecularWeight: 350.8049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)C(=N2)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)C(=N2)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-17-15-16(20)21-11-22-18(15)25(24-17)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,23,24)(H2,20,21,22)