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8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name:8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:8-[4-(3-chlorophenyl)piperazino]-3-methyl-7-(3-phenylpropyl)xanthine
Formula: C25H27ClN6O2
MolecularWeight: 478.97388
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCC5=CC=CC=C5


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCC5=CC=CC=C5


InChI

InChI=1S/C25H27ClN6O2/c1-29-22-21(23(33)28-25(29)34)32(12-6-9-18-7-3-2-4-8-18)24(27-22)31-15-13-30(14-16-31)20-11-5-10-19(26)17-20/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3,(H,28,33,34)


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