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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(cyclohexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(cyclohexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(cyclohexylamino)-3-methyl-xanthine Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C16H22ClN5O2/c1-10(17)8-9-22-12-13(21(2)16(24)20-14(12)23)19-15(22)18-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,18,19)(H,20,23,24)/b10-8-