3-methyl-8-[[(2R)-oxolan-2-yl]methylamino]-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[[(2R)-oxolan-2-yl]methylamino]-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methylamino]purine-2,6-dione CAS Name: 3-methyl-8-[[(2R)-2-oxolanyl]methylamino]-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-[[(2R)-oxolan-2-yl]methylamino]purine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methylamino]xanthine Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCC4CCCO4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NC[C@H]4CCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O3/c1-28-22-21(23(31)30(25(28)32)17-19-11-6-3-7-12-19)29(16-18-9-4-2-5-10-18)24(27-22)26-15-20-13-8-14-33-20/h2-7,9-12,20H,8,13-17H2,1H3,(H,26,27)/t20-/m1/s1