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8-(1,2-diazepan-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione

8-(1,2-diazepan-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name:8-(1,2-diazepan-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione
Openeye Name:8-(diazepan-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione
CAS Name:8-(1-diazepanyl)-3-methyl-7-phenethylpurine-2,6-dione
IUPAC Name:8-(diazepan-1-yl)-3-methyl-7-phenethylpurine-2,6-dione
Traditional Name:8-(diazepan-1-yl)-3-methyl-7-phenethyl-xanthine
Formula: C19H24N6O2
MolecularWeight: 368.43286
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCN3)CCC4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCN3)CCC4=CC=CC=C4


InChI

InChI=1S/C19H24N6O2/c1-23-16-15(17(26)22-19(23)27)24(13-10-14-8-4-2-5-9-14)18(21-16)25-12-7-3-6-11-20-25/h2,4-5,8-9,20H,3,6-7,10-13H2,1H3,(H,22,26,27)


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