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

Systemtic Name: methyl 2-[3-[(6-azanyl-2-chloranyl-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-chloro-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-2-chloro-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-chloro-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-chloro-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C15H14ClN5O3 MolecularWeight: 347.75636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)Cl)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)Cl)N)NC2=O

InChI

InChI=1S/C15H14ClN5O3/c1-24-10(22)6-8-3-2-4-9(5-8)7-21-13-11(18-15(21)23)12(17)19-14(16)20-13/h2-5H,6-7H2,1H3,(H,18,23)(H2,17,19,20)