8-(furan-2-ylmethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-(2-furylmethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(2-furfurylamino)-3-methyl-xanthine Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCC4=CC=CO4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCC4=CC=CO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/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/h2-14H,15-17H2,1H3,(H,26,27)