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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-pyrrolidino-xanthine Formula: C14H18ClN5O2 MolecularWeight: 323.77802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C14H18ClN5O2/c1-9(15)5-8-20-10-11(18(2)14(22)17-12(10)21)16-13(20)19-6-3-4-7-19/h5H,3-4,6-8H2,1-2H3,(H,17,21,22)/b9-5+