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

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-(3-morpholin-4-yl-3-oxidanylidene-propyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-(3-morpholino-3-oxo-propyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-[3-(4-morpholinyl)-3-oxopropyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-(3-morpholin-4-yl-3-oxopropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-(3-keto-3-morpholino-propyl)xanthine Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCOCC3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCOCC3)CC(C)C

InChI

InChI=1S/C20H31N5O4/c1-4-5-8-24-18-17(19(27)22-20(24)28)25(13-14(2)3)15(21-18)6-7-16(26)23-9-11-29-12-10-23/h14H,4-13H2,1-3H3,(H,22,27,28)