1,3-dimethyl-7-phenacyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenacyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-phenacyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenacyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenacyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-phenacyl-8-pyrrolidino-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)N3CCCC3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(=O)C4=CC=CC=C4

InChI

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