8-(3-oxidanylidenecyclopentyl)-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-(3-oxidanylidenecyclopentyl)-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-benzyl-8-(3-oxocyclopentyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 8-(3-oxocyclopentyl)-7-(phenylmethyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-benzyl-8-(3-oxocyclopentyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-ketocyclopentyl)-1,3-dipropyl-xanthine Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3CCC(=O)C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3CCC(=O)C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c1-3-12-25-21-19(22(29)26(13-4-2)23(25)30)27(15-16-8-6-5-7-9-16)20(24-21)17-10-11-18(28)14-17/h5-9,17H,3-4,10-15H2,1-2H3