7-[2-(cyclohexen-1-yl)ethyl]-8-(5-methylfuran-2-yl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-[2-(cyclohexen-1-yl)ethyl]-8-(5-methylfuran-2-yl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(5-methyl-2-furyl)purine-2,6-dione CAS Name: 7-[2-(1-cyclohexenyl)ethyl]-8-(5-methyl-2-furanyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(5-methylfuran-2-yl)purine-2,6-dione Traditional Name: 3-benzyl-7-[2-(cyclohexen-1-yl)ethyl]-8-(5-methyl-2-furyl)xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=C(N2CCC4=CCCCC4)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=C(N2CCC4=CCCCC4)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c1-17-12-13-20(32-17)22-26-23-21(28(22)15-14-18-8-4-2-5-9-18)24(30)27-25(31)29(23)16-19-10-6-3-7-11-19/h3,6-8,10-13H,2,4-5,9,14-16H2,1H3,(H,27,30,31)