methyl 2-[3-[[6-azanyl-2-(1,3-dioxolan-2-yl)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(1,3-dioxolan-2-yl)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(1,3-dioxolan-2-yl)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(1,3-dioxolan-2-yl)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(1,3-dioxolan-2-yl)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(1,3-dioxolan-2-yl)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)C4OCCO4

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)C4OCCO4

InChI

InChI=1S/C18H19N5O4/c1-25-13(24)8-11-3-2-4-12(7-11)9-23-10-20-14-15(19)21-16(22-17(14)23)18-26-5-6-27-18/h2-4,7,10,18H,5-6,8-9H2,1H3,(H2,19,21,22)