5-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-2,2-dimethyl-6-oxidanyl-1,3-dioxin-4-one

Systemtic Name: 5-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-2,2-dimethyl-6-oxidanyl-1,3-dioxin-4-one Openeye Name: 5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one CAS Name: 5-[2-(2-amino-6-chloro-9-purinyl)ethyl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one IUPAC Name: 5-[2-(2-amino-6-chloropurin-9-yl)ethyl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one Traditional Name: 5-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one Formula: C13H14ClN5O4 MolecularWeight: 339.73436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)CCN2C=NC3=C2N=C(N=C3Cl)N)O)C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)CCN2C=NC3=C2N=C(N=C3Cl)N)O)C

InChI

InChI=1S/C13H14ClN5O4/c1-13(2)22-10(20)6(11(21)23-13)3-4-19-5-16-7-8(14)17-12(15)18-9(7)19/h5,20H,3-4H2,1-2H3,(H2,15,17,18)