7-[(E)-3-chloranylbut-2-enyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-(2-furylmethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(2-furanylmethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(2-furfurylamino)-3-methyl-xanthine Formula: C15H16ClN5O3 MolecularWeight: 349.77224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C15H16ClN5O3/c1-9(16)5-6-21-11-12(20(2)15(23)19-13(11)22)18-14(21)17-8-10-4-3-7-24-10/h3-5,7H,6,8H2,1-2H3,(H,17,18)(H,19,22,23)/b9-5+