1,3-dimethyl-7-(phenylmethyl)-8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[4-[2-(2-thienyl)acetyl]piperazino]xanthine Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)CC4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)CC4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N6O3S/c1-26-21-20(22(32)27(2)24(26)33)30(16-17-7-4-3-5-8-17)23(25-21)29-12-10-28(11-13-29)19(31)15-18-9-6-14-34-18/h3-9,14H,10-13,15-16H2,1-2H3