4-[2-cyano-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurin-9-yl]butanoic acid

Systemtic Name: 4-[2-cyano-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurin-9-yl]butanoic acid Openeye Name: 4-[2-cyano-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurin-9-yl]butanoic acid CAS Name: 4-[2-cyano-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurin-9-yl]butanoic acid IUPAC Name: 4-[2-cyano-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurin-9-yl]butanoic acid Traditional Name: 4-[2-cyano-6-[(3,4-dichlorobenzyl)amino]-7,8-dihydropurin-9-yl]butyric acid Formula: C17H16Cl2N6O2 MolecularWeight: 407.25394

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCCC(=O)O)N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

C1NC2=C(N1CCCC(=O)O)N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C17H16Cl2N6O2/c18-11-4-3-10(6-12(11)19)8-21-16-15-17(24-13(7-20)23-16)25(9-22-15)5-1-2-14(26)27/h3-4,6,22H,1-2,5,8-9H2,(H,26,27)(H,21,23,24)