4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]butanoic acid

Systemtic Name: 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]butanoic acid Openeye Name: 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]butanoic acid CAS Name: 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]butanoic acid IUPAC Name: 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]butanoic acid Traditional Name: 4-[2-[(3,4-dichlorobenzyl)amino]-6-keto-3H-purin-7-yl]butyric acid Formula: C16H15Cl2N5O3 MolecularWeight: 396.228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCC(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCC(=O)O)Cl)Cl

InChI

InChI=1S/C16H15Cl2N5O3/c17-10-4-3-9(6-11(10)18)7-19-16-21-14-13(15(26)22-16)23(8-20-14)5-1-2-12(24)25/h3-4,6,8H,1-2,5,7H2,(H,24,25)(H2,19,21,22,26)