7-butyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 7-butyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-(2-keto-2-pyrrolidino-ethyl)xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCC4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H27N5O3/c1-2-3-11-25-16-23-20-19(25)21(29)27(15-18(28)24-12-7-8-13-24)22(30)26(20)14-17-9-5-4-6-10-17/h4-6,9-10,16H,2-3,7-8,11-15H2,1H3