7-butyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-butyl-1-[[5-(2-furyl)isoxazol-3-yl]methyl]-3-isobutyl-purine-2,6-dione CAS Name: 7-butyl-1-[[5-(2-furanyl)-3-isoxazolyl]methyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-butyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-butyl-1-[[5-(2-furyl)isoxazol-3-yl]methyl]-3-isobutyl-xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=NOC(=C3)C4=CC=CO4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=NOC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H25N5O4/c1-4-5-8-24-13-22-19-18(24)20(27)26(21(28)25(19)11-14(2)3)12-15-10-17(30-23-15)16-7-6-9-29-16/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3