2-azanyl-N-[(3,4-dichlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide

Systemtic Name: 2-azanyl-N-[(3,4-dichlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide Openeye Name: 2-amino-N-[(3,4-dichlorophenyl)methyl]-6-(2-furyl)purine-9-carboxamide CAS Name: 2-amino-N-[(3,4-dichlorophenyl)methyl]-6-(2-furanyl)-9-purinecarboxamide IUPAC Name: 2-amino-N-[(3,4-dichlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide Traditional Name: 2-amino-N-(3,4-dichlorobenzyl)-6-(2-furyl)purine-9-carboxamide Formula: C17H12Cl2N6O2 MolecularWeight: 403.22218

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C3C(=NC(=N2)N)N(C=N3)C(=O)NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=COC(=C1)C2=C3C(=NC(=N2)N)N(C=N3)C(=O)NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H12Cl2N6O2/c18-10-4-3-9(6-11(10)19)7-21-17(26)25-8-22-14-13(12-2-1-5-27-12)23-16(20)24-15(14)25/h1-6,8H,7H2,(H,21,26)(H2,20,23,24)