8-tert-butyl-7-(phenylmethyl)-1-pyrrolidin-2-ylcarbonyl-3H-purine-2,6-dione

Systemtic Name: 8-tert-butyl-7-(phenylmethyl)-1-pyrrolidin-2-ylcarbonyl-3H-purine-2,6-dione Openeye Name: 7-benzyl-8-tert-butyl-1-(pyrrolidine-2-carbonyl)-3H-purine-2,6-dione CAS Name: 8-tert-butyl-1-[oxo(2-pyrrolidinyl)methyl]-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-8-tert-butyl-1-(pyrrolidine-2-carbonyl)-3H-purine-2,6-dione Traditional Name: 7-benzyl-8-tert-butyl-1-prolyl-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)C(=O)C4CCCN4

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)C(=O)C4CCCN4

InChI

InChI=1S/C21H25N5O3/c1-21(2,3)19-23-16-15(25(19)12-13-8-5-4-6-9-13)18(28)26(20(29)24-16)17(27)14-10-7-11-22-14/h4-6,8-9,14,22H,7,10-12H2,1-3H3,(H,24,29)