methyl 2-[3-[[6-azanyl-2-(2-methoxyethylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-methoxyethylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-methoxyethylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-(2-methoxyethylamino)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

COCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C18H22N6O4/c1-27-7-6-20-17-22-15(19)14-16(23-17)24(18(26)21-14)10-12-5-3-4-11(8-12)9-13(25)28-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,21,26)(H3,19,20,22,23)