1,3-dimethyl-8-(2-morpholin-4-ylethylamino)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylamino)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(2-morpholinoethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-(4-morpholinyl)ethylamino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(2-morpholinoethylamino)xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O3/c1-23-17-16(18(27)24(2)20(23)28)26(14-15-6-4-3-5-7-15)19(22-17)21-8-9-25-10-12-29-13-11-25/h3-7H,8-14H2,1-2H3,(H,21,22)