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8-[(2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione

8-[(2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name:8-[(2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione
Openeye Name:8-[(2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione
CAS Name:8-[(2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione
IUPAC Name:8-[(2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione
Traditional Name:8-[(2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-quinone
Formula: C22H28N4O2
MolecularWeight: 380.48332
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3C4=CC=CC=C4


Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC[C@@H]3C4=CC=CC=C4


InChI

InChI=1S/C22H28N4O2/c1-3-13-25-20-18(21(27)26(14-4-2)22(25)28)23-19(24-20)17-12-8-11-16(17)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3,(H,23,24)/t16-,17?/m1/s1


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