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

Systemtic Name: methyl 2-[3-[(6-azanyl-2-cyclopentyl-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-cyclopentyl-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-2-cyclopentyl-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-cyclopentyl-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-cyclopentyl-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)C4CCCC4)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)C4CCCC4)N)NC2=O

InChI

InChI=1S/C20H23N5O3/c1-28-15(26)10-12-5-4-6-13(9-12)11-25-19-16(22-20(25)27)17(21)23-18(24-19)14-7-2-3-8-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,22,27)(H2,21,23,24)