8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)purine-2,6-dione CAS Name: 8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)xanthine Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3/c1-3-14-27-23(29)20-22(26(24(27)30)15-9-16-31-2)25-21(19-12-7-8-13-19)28(20)17-18-10-5-4-6-11-18/h3-6,10-11,19H,1,7-9,12-17H2,2H3