methyl 2-[3,4-diacetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)oxolan-2-yl]ethanoate

Systemtic Name: methyl 2-[3,4-diacetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)oxolan-2-yl]ethanoate Openeye Name: methyl 2-[3,4-diacetoxy-5-(2-amino-6-chloro-purin-9-yl)tetrahydrofuran-2-yl]acetate CAS Name: 2-[3,4-diacetyloxy-5-(2-amino-6-chloro-9-purinyl)-2-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]acetate Traditional Name: 2-[3,4-diacetoxy-5-(2-amino-6-chloro-purin-9-yl)tetrahydrofuran-2-yl]acetic acid methyl ester Formula: C16H18ClN5O7 MolecularWeight: 427.79642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)N)CC(=O)OC

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)N)CC(=O)OC

InChI

InChI=1S/C16H18ClN5O7/c1-6(23)27-11-8(4-9(25)26-3)29-15(12(11)28-7(2)24)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,8,11-12,15H,4H2,1-3H3,(H2,18,20,21)