3-[(E)-but-2-enyl]-7-(2-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-[(E)-but-2-enyl]-7-(2-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-[(E)-but-2-enyl]-7-(2-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-[(E)-but-2-enyl]-7-(2-chlorophenyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-[(E)-but-2-enyl]-7-(2-chlorophenyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-[(E)-but-2-enyl]-7-(2-chlorophenyl)-8-piperazino-xanthine Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

C/C=C/CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H21ClN6O2/c1-2-3-10-25-16-15(17(27)23-19(25)28)26(14-7-5-4-6-13(14)20)18(22-16)24-11-8-21-9-12-24/h2-7,21H,8-12H2,1H3,(H,23,27,28)/b3-2+