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

Systemtic Name: methyl 2-[3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(2-amino-6-chloro-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(2-amino-6-chloro-9-purinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(2-amino-6-chloro-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C15H14ClN5O2 MolecularWeight: 331.75696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C15H14ClN5O2/c1-23-11(22)6-9-3-2-4-10(5-9)7-21-8-18-12-13(16)19-15(17)20-14(12)21/h2-5,8H,6-7H2,1H3,(H2,17,19,20)