[3-acetyloxy-5-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-2-methyl-pyridin-4-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-5-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-2-methyl-pyridin-4-yl]methyl ethanoate Openeye Name: [3-acetoxy-5-[(2-amino-6-chloro-purin-9-yl)methyl]-2-methyl-4-pyridyl]methyl acetate CAS Name: acetic acid [3-acetyloxy-5-[(2-amino-6-chloro-9-purinyl)methyl]-2-methyl-4-pyridinyl]methyl ester IUPAC Name: [3-acetyloxy-5-[(2-amino-6-chloropurin-9-yl)methyl]-2-methylpyridin-4-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-5-[(2-amino-6-chloro-purin-9-yl)methyl]-2-methyl-4-pyridyl]methyl ester Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OC(=O)C)COC(=O)C)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC1=NC=C(C(=C1OC(=O)C)COC(=O)C)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C17H17ClN6O4/c1-8-14(28-10(3)26)12(6-27-9(2)25)11(4-20-8)5-24-7-21-13-15(18)22-17(19)23-16(13)24/h4,7H,5-6H2,1-3H3,(H2,19,22,23)