3-butyl-8-[3-[(2S)-2-methylmorpholin-4-yl]-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-[(2S)-2-methylmorpholin-4-yl]-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-[(2S)-2-methylmorpholin-4-yl]-3-oxo-propyl]purine-2,6-dione CAS Name: 3-butyl-8-[3-[(2S)-2-methyl-4-morpholinyl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[3-[(2S)-2-methylmorpholin-4-yl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[3-keto-3-[(2S)-2-methylmorpholino]propyl]xanthine Formula: C21H33N5O4 MolecularWeight: 419.51782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCOC(C3)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCO[C@H](C3)C)CC(C)C

InChI

InChI=1S/C21H33N5O4/c1-5-6-9-25-19-18(20(28)23-21(25)29)26(12-14(2)3)16(22-19)7-8-17(27)24-10-11-30-15(4)13-24/h14-15H,5-13H2,1-4H3,(H,23,28,29)/t15-/m0/s1