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1,3-dimethyl-7-phenacyl-8-(piperidin-1-ylmethyl)purine-2,6-dione

1,3-dimethyl-7-phenacyl-8-(piperidin-1-ylmethyl)purine-2,6-dione

Systemtic Name:1,3-dimethyl-7-phenacyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
Openeye Name:1,3-dimethyl-7-phenacyl-8-(1-piperidylmethyl)purine-2,6-dione
CAS Name:1,3-dimethyl-7-phenacyl-8-(1-piperidinylmethyl)purine-2,6-dione
IUPAC Name:1,3-dimethyl-7-phenacyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
Traditional Name:1,3-dimethyl-7-phenacyl-8-(piperidinomethyl)xanthine
Formula: C21H25N5O3
MolecularWeight: 395.4549
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC(=O)C4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC(=O)C4=CC=CC=C4


InChI

InChI=1S/C21H25N5O3/c1-23-19-18(20(28)24(2)21(23)29)26(13-16(27)15-9-5-3-6-10-15)17(22-19)14-25-11-7-4-8-12-25/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3


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