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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-methoxyethylamino)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-methoxyethylamino)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-methoxyethylamino)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-methoxyethylamino)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-methoxyethylamino)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

COCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C18H22N6O3/c1-26-7-6-20-18-22-16(19)15-17(23-18)24(11-21-15)10-13-5-3-4-12(8-13)9-14(25)27-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H3,19,20,22,23)