7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-pyrrolidino-xanthine Formula: C15H20ClN5O2 MolecularWeight: 337.8046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C15H20ClN5O2/c1-10(16)6-9-21-11-12(17-14(21)20-7-4-5-8-20)18(2)15(23)19(3)13(11)22/h6H,4-5,7-9H2,1-3H3/b10-6+