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8-cyclopentyl-3-[(1S)-1-phenylethyl]-1-propyl-7H-purine-2,6-dione

8-cyclopentyl-3-[(1S)-1-phenylethyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name:8-cyclopentyl-3-[(1S)-1-phenylethyl]-1-propyl-7H-purine-2,6-dione
Openeye Name:8-cyclopentyl-3-[(1S)-1-phenylethyl]-1-propyl-7H-purine-2,6-dione
CAS Name:8-cyclopentyl-3-[(1S)-1-phenylethyl]-1-propyl-7H-purine-2,6-dione
IUPAC Name:8-cyclopentyl-3-[(1S)-1-phenylethyl]-1-propyl-7H-purine-2,6-dione
Traditional Name:8-cyclopentyl-3-[(1S)-1-phenylethyl]-1-propyl-7H-purine-2,6-quinone
Formula: C21H26N4O2
MolecularWeight: 366.45674
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)C(C)C4=CC=CC=C4


Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)[C@@H](C)C4=CC=CC=C4


InChI

InChI=1S/C21H26N4O2/c1-3-13-24-20(26)17-19(23-18(22-17)16-11-7-8-12-16)25(21(24)27)14(2)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3,(H,22,23)/t14-/m0/s1


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