1,3-dimethyl-8-[3-(2-piperidin-1-ylethoxy)phenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[3-(2-piperidin-1-ylethoxy)phenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[3-[2-(1-piperidyl)ethoxy]phenyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[3-[2-(1-piperidinyl)ethoxy]phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[3-(2-piperidin-1-ylethoxy)phenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[3-(2-piperidinoethoxy)phenyl]-7H-purine-2,6-quinone Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=CC=C3)OCCN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=CC=C3)OCCN4CCCCC4

InChI

InChI=1S/C20H25N5O3/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)14-7-6-8-15(13-14)28-12-11-25-9-4-3-5-10-25/h6-8,13H,3-5,9-12H2,1-2H3,(H,21,22)