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

Systemtic Name: 8-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C20H25N5O4 MolecularWeight: 399.4436

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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)OCCN4CCCC4)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-6-7-14(15(12-13)28-3)29-11-10-25-8-4-5-9-25/h6-7,12H,4-5,8-11H2,1-3H3,(H,21,22)