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

Systemtic Name: 2-[3-[(6-azanyl-2-cyclopentyl-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-2-cyclopentyl-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid CAS Name: 2-[3-[(6-amino-2-cyclopentyl-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-2-cyclopentyl-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid Traditional Name: 2-[3-[(6-amino-2-cyclopentyl-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

C1CCC(C1)C2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C19H21N5O3/c20-16-15-18(23-17(22-16)13-6-1-2-7-13)24(19(27)21-15)10-12-5-3-4-11(8-12)9-14(25)26/h3-5,8,13H,1-2,6-7,9-10H2,(H,21,27)(H,25,26)(H2,20,22,23)