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

Systemtic Name: 1,3-dimethyl-8-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[3-[2-(1-pyrrolidinyl)ethoxy]phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[3-(2-pyrrolidinoethoxy)phenyl]-7H-purine-2,6-quinone Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=CC=C3)OCCN4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=CC=C3)OCCN4CCCC4

InChI

InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-6-5-7-14(12-13)27-11-10-24-8-3-4-9-24/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,21)