3,7-dimethyl-1-[3-[methyl(3-phenoxypropyl)amino]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[methyl(3-phenoxypropyl)amino]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[methyl(3-phenoxypropyl)amino]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[methyl(3-phenoxypropyl)amino]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[methyl(3-phenoxypropyl)amino]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[methyl(3-phenoxypropyl)amino]propyl]xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CCCOC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3/c1-22(12-8-14-28-16-9-5-4-6-10-16)11-7-13-25-19(26)17-18(21-15-23(17)2)24(3)20(25)27/h4-6,9-10,15H,7-8,11-14H2,1-3H3