5-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-2-phenyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-2-phenyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-2-phenyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(2-amino-6-chloro-9-purinyl)ethyl]-2-phenyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(2-amino-6-chloropurin-9-yl)ethyl]-2-phenyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-2-phenyl-1,3-dioxane-4,6-quinone Formula: C17H14ClN5O4 MolecularWeight: 387.77716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2OC(=O)C(C(=O)O2)CCN3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C2OC(=O)C(C(=O)O2)CCN3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C17H14ClN5O4/c18-12-11-13(22-17(19)21-12)23(8-20-11)7-6-10-14(24)26-16(27-15(10)25)9-4-2-1-3-5-9/h1-5,8,10,16H,6-7H2,(H2,19,21,22)