8-[(Z)-2-chloranylbut-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(Z)-2-chloranylbut-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione Openeye Name: 8-[(Z)-2-chlorobut-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-[(Z)-2-chlorobut-2-enyl]-8-(diethylamino)-3-methylpurine-2,6-dione IUPAC Name: 8-[(Z)-2-chlorobut-2-enyl]-8-(diethylamino)-3-methylpurine-2,6-dione Traditional Name: 8-[(Z)-2-chlorobut-2-enyl]-8-(diethylamino)-3-methyl-xanthine Formula: C14H20ClN5O2 MolecularWeight: 325.7939

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1(N=C2C(=O)NC(=O)N(C2=N1)C)CC(=CC)Cl

Isomeric SMILES

CCN(CC)C1(N=C2C(=O)NC(=O)N(C2=N1)C)C/C(=C/C)/Cl

InChI

InChI=1S/C14H20ClN5O2/c1-5-9(15)8-14(20(6-2)7-3)17-10-11(18-14)19(4)13(22)16-12(10)21/h5H,6-8H2,1-4H3,(H,16,21,22)/b9-5-