3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-7H-purine-2,6-quinone Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2)C(=O)NC(=O)N3CCC4=CC=C(C=C4)N

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2)C(=O)NC(=O)N3CCC4=CC=C(C=C4)N

InChI

InChI=1S/C18H21N5O2/c19-13-7-5-11(6-8-13)9-10-23-16-14(17(24)22-18(23)25)20-15(21-16)12-3-1-2-4-12/h5-8,12H,1-4,9-10,19H2,(H,20,21)(H,22,24,25)