7-butyl-3-(2-methylpropyl)-1-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]purine-2,6-dione

Systemtic Name: 7-butyl-3-(2-methylpropyl)-1-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]purine-2,6-dione Openeye Name: 7-butyl-3-isobutyl-1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]purine-2,6-dione CAS Name: 7-butyl-3-(2-methylpropyl)-1-[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]purine-2,6-dione IUPAC Name: 7-butyl-3-(2-methylpropyl)-1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]purine-2,6-dione Traditional Name: 7-butyl-3-isobutyl-1-[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]xanthine Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H32N6O4/c1-4-5-8-28-15-26-21-20(28)23(33)30(24(34)29(21)13-16(2)3)14-19(31)17-11-18(25-12-17)22(32)27-9-6-7-10-27/h11-12,15-16,25H,4-10,13-14H2,1-3H3