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

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-1-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-1-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-1-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]xanthine Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=NC(=NO3)C4=CSC=C4)N(C=N2)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=NC(=NO3)C4=CSC=C4)N(C=N2)CCOC

InChI

InChI=1S/C19H22N6O4S/c1-3-4-6-24-17-15(23(12-20-17)7-8-28-2)18(26)25(19(24)27)10-14-21-16(22-29-14)13-5-9-30-11-13/h5,9,11-12H,3-4,6-8,10H2,1-2H3