8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)purine-2,6-dione CAS Name: 8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)xanthine Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O3/c1-28-13-7-12-24-19-17(20(26)23-21(24)27)25(14-15-8-3-2-4-9-15)18(22-19)16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,23,26,27)