8-(5-methylfuran-2-yl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(5-methylfuran-2-yl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(5-methyl-2-furyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(5-methyl-2-furanyl)-7-[2-(4-morpholin-4-iumyl)ethyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(5-methylfuran-2-yl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(5-methyl-2-furyl)-7-(2-morpholin-4-ium-4-ylethyl)-3-propyl-xanthine Formula: C19H26N5O4+ MolecularWeight: 388.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C)CC[NH+]4CCOCC4

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C)CC[NH+]4CCOCC4

InChI

InChI=1S/C19H25N5O4/c1-3-6-24-17-15(18(25)21-19(24)26)23(8-7-22-9-11-27-12-10-22)16(20-17)14-5-4-13(2)28-14/h4-5H,3,6-12H2,1-2H3,(H,21,25,26)/p+1