methyl 2-[3-[[6-azanyl-2-(2-methoxyethyl)-8-oxidanylidene-7H-purin-9-yl]methyl]-5-methyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-methoxyethyl)-8-oxidanylidene-7H-purin-9-yl]methyl]-5-methyl-phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-methoxyethyl)-8-oxo-7H-purin-9-yl]methyl]-5-methyl-phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-methoxyethyl)-8-oxo-7H-purin-9-yl]methyl]-5-methylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-methoxyethyl)-8-oxo-7H-purin-9-yl]methyl]-5-methylphenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-(2-methoxyethyl)-7H-purin-9-yl]methyl]-5-methyl-phenyl]acetic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)CCOC)N)NC2=O)CC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)CCOC)N)NC2=O)CC(=O)OC

InChI

InChI=1S/C19H23N5O4/c1-11-6-12(9-15(25)28-3)8-13(7-11)10-24-18-16(23-19(24)26)17(20)21-14(22-18)4-5-27-2/h6-8H,4-5,9-10H2,1-3H3,(H,23,26)(H2,20,21,22)