8-(3-methoxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 8-(3-methoxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-(3-methoxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-(3-methoxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-(3-methoxypropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-(3-methoxypropylamino)-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCCOC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O4/c1-23-16-15(17(25)22-19(23)26)24(18(21-16)20-10-6-12-27-2)11-7-13-28-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,20,21)(H,22,25,26)