3-butyl-7-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-(4-methylbenzyl)xanthine Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-3-4-11-25-20-19(24(15-23-20)14-18-6-5-12-29-18)21(27)26(22(25)28)13-17-9-7-16(2)8-10-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3