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1,3-dimethyl-7-(2-methylphenyl)-8-piperazin-1-yl-purine-2,6-dione

1,3-dimethyl-7-(2-methylphenyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name:1,3-dimethyl-7-(2-methylphenyl)-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:1,3-dimethyl-7-(o-tolyl)-8-piperazin-1-yl-purine-2,6-dione
CAS Name:1,3-dimethyl-7-(2-methylphenyl)-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:1,3-dimethyl-7-(2-methylphenyl)-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:1,3-dimethyl-7-(o-tolyl)-8-piperazino-xanthine
Formula: C18H22N6O2
MolecularWeight: 354.40628
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C


Isomeric SMILES

CC1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C


InChI

InChI=1S/C18H22N6O2/c1-12-6-4-5-7-13(12)24-14-15(21(2)18(26)22(3)16(14)25)20-17(24)23-10-8-19-9-11-23/h4-7,19H,8-11H2,1-3H3


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