methyl 2-[3-[(6-azanyl-8-bromanyl-2-oxidanylidene-1H-purin-9-yl)methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[(6-azanyl-8-bromanyl-2-oxidanylidene-1H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-8-bromo-2-oxo-1H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-8-bromo-2-oxo-1H-purin-9-yl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-8-bromo-2-oxo-1H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-8-bromo-2-keto-1H-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C15H14BrN5O3 MolecularWeight: 392.20736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=NC(=O)NC(=C3N=C2Br)N

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=NC(=O)NC(=C3N=C2Br)N

InChI

InChI=1S/C15H14BrN5O3/c1-24-10(22)6-8-3-2-4-9(5-8)7-21-13-11(18-14(21)16)12(17)19-15(23)20-13/h2-5H,6-7H2,1H3,(H3,17,19,20,23)