1,3-dimethyl-7-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]purine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl]-1,3-dimethyl-xanthine Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C19H21N5O3/c1-21-16-15(17(25)22(2)19(21)27)24(12-20-16)14(13-8-4-3-5-9-13)18(26)23-10-6-7-11-23/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3/t14-/m1/s1