7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-piperazino-xanthine Formula: C14H19ClN6O2 MolecularWeight: 338.79266

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C=C(/CN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C)\Cl

InChI

InChI=1S/C14H19ClN6O2/c1-3-9(15)8-21-10-11(19(2)14(23)18-12(10)22)17-13(21)20-6-4-16-5-7-20/h3,16H,4-8H2,1-2H3,(H,18,22,23)/b9-3-