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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-(furan-2-ylmethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-(2-furylmethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(2-furanylmethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C16H18ClN5O3/c1-10(17)6-7-22-12-13(20(2)16(24)21(3)14(12)23)19-15(22)18-9-11-5-4-8-25-11/h4-6,8H,7,9H2,1-3H3,(H,18,19)/b10-6+