[3,4-diacetyloxy-5-(6-aminopurin-9-yl)-1-ethanoyl-pyrrolidin-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)-1-ethanoyl-pyrrolidin-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-1-acetyl-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate CAS Name: acetic acid [1-acetyl-3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-pyrrolidinyl]methyl ester IUPAC Name: [1-acetyl-3,4-diacetyloxy-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate Traditional Name: acetic acid (3,4-diacetoxy-1-acetyl-5-adenin-9-yl-pyrrolidin-2-yl)methyl ester Formula: C18H22N6O7 MolecularWeight: 434.40328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C(C1N2C=NC3=C2N=CN=C3N)OC(=O)C)OC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)N1C(C(C(C1N2C=NC3=C2N=CN=C3N)OC(=O)C)OC(=O)C)COC(=O)C

InChI

InChI=1S/C18H22N6O7/c1-8(25)24-12(5-29-9(2)26)14(30-10(3)27)15(31-11(4)28)18(24)23-7-22-13-16(19)20-6-21-17(13)23/h6-7,12,14-15,18H,5H2,1-4H3,(H2,19,20,21)