3-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-(4-chlorophenyl)-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(4-chlorophenyl)-1-(2-oxolanylmethyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-(4-chlorophenyl)-1-(tetrahydrofurfuryl)xanthine Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)CC4CCCO4

Isomeric SMILES

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)CC4CCCO4

InChI

InChI=1S/C19H19ClN4O3/c1-2-9-22-12-21-17-16(22)18(25)23(11-15-4-3-10-27-15)19(26)24(17)14-7-5-13(20)6-8-14/h2,5-8,12,15H,1,3-4,9-11H2