7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-morpholinopropylamino)xanthine Formula: C17H25ClN6O3 MolecularWeight: 396.8718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCCCN3CCOCC3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NCCCN3CCOCC3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C17H25ClN6O3/c1-12(18)4-7-24-13-14(22(2)17(26)21-15(13)25)20-16(24)19-5-3-6-23-8-10-27-11-9-23/h4H,3,5-11H2,1-2H3,(H,19,20)(H,21,25,26)/b12-4-