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3-methyl-7-phenacyl-8-piperidin-1-yl-purine-2,6-dione

3-methyl-7-phenacyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name:3-methyl-7-phenacyl-8-piperidin-1-yl-purine-2,6-dione
Openeye Name:3-methyl-7-phenacyl-8-(1-piperidyl)purine-2,6-dione
CAS Name:3-methyl-7-phenacyl-8-(1-piperidinyl)purine-2,6-dione
IUPAC Name:3-methyl-7-phenacyl-8-piperidin-1-ylpurine-2,6-dione
Traditional Name:3-methyl-7-phenacyl-8-piperidino-xanthine
Formula: C19H21N5O3
MolecularWeight: 367.40174
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(=O)C4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(=O)C4=CC=CC=C4


InChI

InChI=1S/C19H21N5O3/c1-22-16-15(17(26)21-19(22)27)24(12-14(25)13-8-4-2-5-9-13)18(20-16)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,21,26,27)


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