3-butyl-7-(furan-2-ylmethyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3-butyl-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3-butyl-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 1-benzyl-3-butyl-7-(2-furfuryl)xanthine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C21H22N4O3/c1-2-3-11-24-19-18(23(15-22-19)14-17-10-7-12-28-17)20(26)25(21(24)27)13-16-8-5-4-6-9-16/h4-10,12,15H,2-3,11,13-14H2,1H3