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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(3-phenylpyrrolidin-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(3-phenyl-1-pyrrolidinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-phenylpyrrolidino)ethyl]-1,3-dimethyl-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)CC(=O)N3CCC(C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC(C3)C4=CC=CC=C4

InChI

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