1,3-dimethyl-7-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-(pyrrolidine-1-carbonyl)benzyl]xanthine Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C19H21N5O3/c1-21-16-15(18(26)22(2)19(21)27)24(12-20-16)11-13-5-7-14(8-6-13)17(25)23-9-3-4-10-23/h5-8,12H,3-4,9-11H2,1-2H3