7-[(E)-3-chloranylbut-2-enyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C17H28ClN5O2 MolecularWeight: 369.88952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2C(N1CC=C(C)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCNC1=NC2C(N1C/C=C(\C)/Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H28ClN5O2/c1-5-6-7-8-10-19-16-20-14-13(23(16)11-9-12(2)18)15(24)22(4)17(25)21(14)3/h9,13-14H,5-8,10-11H2,1-4H3,(H,19,20)/b12-9+