7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C20H23ClN6O2/c1-14(21)8-9-27-16-17(24(2)20(29)23-18(16)28)22-19(27)26-12-10-25(11-13-26)15-6-4-3-5-7-15/h3-8H,9-13H2,1-2H3,(H,23,28,29)/b14-8-