1-(oxolan-2-ylmethyl)-3-phenyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1-(oxolan-2-ylmethyl)-3-phenyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-phenyl-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 1-(2-oxolanylmethyl)-3-phenyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-(oxolan-2-ylmethyl)-3-phenyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-phenyl-1-(tetrahydrofurfuryl)xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4CCCO4

Isomeric SMILES

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4CCCO4

InChI

InChI=1S/C19H22N4O3/c1-13(2)22-12-20-17-16(22)18(24)21(11-15-9-6-10-26-15)19(25)23(17)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3