7-cyclopentyl-1-(furan-2-ylmethyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-(furan-2-ylmethyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-cyclopentyl-1-(2-furylmethyl)-3-phenyl-purine-2,6-dione CAS Name: 7-cyclopentyl-1-(2-furanylmethyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-cyclopentyl-1-(furan-2-ylmethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-cyclopentyl-1-(2-furfuryl)-3-phenyl-xanthine Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CO5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C21H20N4O3/c26-20-18-19(22-14-24(18)15-7-4-5-8-15)25(16-9-2-1-3-10-16)21(27)23(20)13-17-11-6-12-28-17/h1-3,6,9-12,14-15H,4-5,7-8,13H2