8-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[3-methoxy-4-[2-(1-piperidyl)ethoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[3-methoxy-4-[2-(1-piperidinyl)ethoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[3-methoxy-4-(2-piperidinoethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(16(13-14)29-3)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23)