methyl 2-[3-[[6-azanyl-2-(2-phenoxyethoxy)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-phenoxyethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-phenoxyethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-phenoxyethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-phenoxyethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-phenoxyethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCCOC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCCOC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O4/c1-30-19(29)13-16-6-5-7-17(12-16)14-28-15-25-20-21(24)26-23(27-22(20)28)32-11-10-31-18-8-3-2-4-9-18/h2-9,12,15H,10-11,13-14H2,1H3,(H2,24,26,27)