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

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O3/c1-23(2)12-10-20-18-21-16-15(17(26)22-19(27)24(16)3)25(18)11-7-13-28-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)(H,22,26,27)