3-butyl-7-(furan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)xanthine Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CO3

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CO3

InChI

InChI=1S/C14H16N4O3/c1-2-3-6-18-12-11(13(19)16-14(18)20)17(9-15-12)8-10-5-4-7-21-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,19,20)