3-methyl-8-(2-morpholin-4-ylethylamino)-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 3-methyl-8-(2-morpholinoethylamino)-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 3-methyl-8-[2-(4-morpholinyl)ethylamino]-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 3-methyl-8-(2-morpholinoethylamino)-7-(3-phenoxypropyl)xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O4/c1-25-18-17(19(28)24-21(25)29)27(9-5-13-31-16-6-3-2-4-7-16)20(23-18)22-8-10-26-11-14-30-15-12-26/h2-4,6-7H,5,8-15H2,1H3,(H,22,23)(H,24,28,29)