1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-phenoxypropyl)xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3/c1-18-14-13(15(21)19(2)16(18)22)20(11-17-14)9-6-10-23-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3