7-[(Z)-3-chloranylbut-2-enyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-dimethylaminoethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-dimethylaminoethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-xanthine Formula: C15H23ClN6O2 MolecularWeight: 354.83512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCCN(C)C)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NCCN(C)C)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C15H23ClN6O2/c1-10(16)6-8-22-11-12(18-14(22)17-7-9-19(2)3)20(4)15(24)21(5)13(11)23/h6H,7-9H2,1-5H3,(H,17,18)/b10-6-