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

Systemtic Name: N4-(3-chlorophenyl)-N3-(4-iodophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N4-(3-chlorophenyl)-N3-(4-iodophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(3-chlorophenyl)-N3-(4-iodophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 4-N-(3-chlorophenyl)-3-N-(4-iodophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-(4-iodophenyl)amine Formula: C17H12ClIN6 MolecularWeight: 462.67485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=NNC(=C32)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=NNC(=C32)NC4=CC=C(C=C4)I

InChI

InChI=1S/C17H12ClIN6/c18-10-2-1-3-13(8-10)23-15-14-16(21-9-20-15)24-25-17(14)22-12-6-4-11(19)5-7-12/h1-9H,(H3,20,21,22,23,24,25)