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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-piperidino-xanthine Formula: C15H20ClN5O2 MolecularWeight: 337.8046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C15H20ClN5O2/c1-10(16)6-9-21-11-12(19(2)15(23)18-13(11)22)17-14(21)20-7-4-3-5-8-20/h6H,3-5,7-9H2,1-2H3,(H,18,22,23)/b10-6-