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

Systemtic Name: methyl 2-[3-[(6-azanyl-2-cyclopentyl-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-cyclopentyl-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-2-cyclopentyl-9-purinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-cyclopentylpurin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-cyclopentyl-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)C4CCCC4

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)C4CCCC4

InChI

InChI=1S/C20H23N5O2/c1-27-16(26)10-13-5-4-6-14(9-13)11-25-12-22-17-18(21)23-19(24-20(17)25)15-7-2-3-8-15/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3,(H2,21,23,24)