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

Systemtic Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-methyl-8-(2-morpholinoethylamino)-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-methyl-8-[2-(4-morpholinyl)ethylamino]-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-methyl-8-(2-morpholinoethylamino)-7-(2-phenoxyethyl)xanthine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O4/c1-24-17-16(18(27)23-20(24)28)26(11-14-30-15-5-3-2-4-6-15)19(22-17)21-7-8-25-9-12-29-13-10-25/h2-6H,7-14H2,1H3,(H,21,22)(H,23,27,28)