7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(3-morpholin-4-yl-3-oxidanylidene-propyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(3-morpholin-4-yl-3-oxidanylidene-propyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(3-morpholino-3-oxo-propyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-[3-(4-morpholinyl)-3-oxopropyl]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(3-morpholin-4-yl-3-oxopropyl)purine-2,6-dione Traditional Name: 3-isobutyl-8-(3-keto-3-morpholino-propyl)-7-(2-methoxyethyl)xanthine Formula: C19H29N5O5 MolecularWeight: 407.46406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCOCC3)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCOCC3)CCOC

InChI

InChI=1S/C19H29N5O5/c1-13(2)12-24-17-16(18(26)21-19(24)27)23(8-9-28-3)14(20-17)4-5-15(25)22-6-10-29-11-7-22/h13H,4-12H2,1-3H3,(H,21,26,27)