7-[(Z)-3-chloranylbut-2-enyl]-8-(hexylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(hexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(hexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(hexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(hexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(hexylamino)-3-methyl-xanthine Formula: C16H24ClN5O2 MolecularWeight: 353.84706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H24ClN5O2/c1-4-5-6-7-9-18-15-19-13-12(22(15)10-8-11(2)17)14(23)20-16(24)21(13)3/h8H,4-7,9-10H2,1-3H3,(H,18,19)(H,20,23,24)/b11-8-