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8-(3,3-diphenylpropylamino)-3-methyl-7-pentyl-purine-2,6-dione

8-(3,3-diphenylpropylamino)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name:8-(3,3-diphenylpropylamino)-3-methyl-7-pentyl-purine-2,6-dione
Openeye Name:8-(3,3-diphenylpropylamino)-3-methyl-7-pentyl-purine-2,6-dione
CAS Name:8-(3,3-diphenylpropylamino)-3-methyl-7-pentylpurine-2,6-dione
IUPAC Name:8-(3,3-diphenylpropylamino)-3-methyl-7-pentylpurine-2,6-dione
Traditional Name:7-amyl-8-(3,3-diphenylpropylamino)-3-methyl-xanthine
Formula: C26H31N5O2
MolecularWeight: 445.55664
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NCCC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCN1C2=C(N=C1NCCC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)NC2=O)C


InChI

InChI=1S/C26H31N5O2/c1-3-4-11-18-31-22-23(30(2)26(33)29-24(22)32)28-25(31)27-17-16-21(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21H,3-4,11,16-18H2,1-2H3,(H,27,28)(H,29,32,33)


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