8-(furan-2-ylmethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(2-furfurylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCOC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O4/c1-23-16-15(17(25)22-19(23)26)24(9-11-28-13-6-3-2-4-7-13)18(21-16)20-12-14-8-5-10-27-14/h2-8,10H,9,11-12H2,1H3,(H,20,21)(H,22,25,26)