8-[(E)-but-2-enoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[(E)-but-2-enoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(E)-but-2-enoxy]-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-[(E)-but-2-enoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(E)-but-2-enoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[(E)-but-2-enoxy]-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

C/C=C/COC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H22N4O3/c1-5-6-11-26-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-10-8-7-9-13(14)2/h5-10H,11-12H2,1-4H3/b6-5+