7-butyl-3-(2-methylpropyl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione

Systemtic Name: 7-butyl-3-(2-methylpropyl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Openeye Name: 7-butyl-3-isobutyl-1-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione CAS Name: 7-butyl-3-(2-methylpropyl)-1-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione IUPAC Name: 7-butyl-3-(2-methylpropyl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Traditional Name: 7-butyl-3-isobutyl-1-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]xanthine Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H24N6O3S/c1-4-5-7-24-12-21-18-16(24)19(27)26(20(28)25(18)9-13(2)3)10-15-22-17(23-29-15)14-6-8-30-11-14/h6,8,11-13H,4-5,7,9-10H2,1-3H3