8-(4-cyclopropylcarbonylpiperazin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-cyclopropylcarbonylpiperazin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[4-(cyclopropanecarbonyl)piperazino]-1,3-dimethyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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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)C4CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H26N6O3/c1-24-18-17(20(30)25(2)22(24)31)28(14-15-6-4-3-5-7-15)21(23-18)27-12-10-26(11-13-27)19(29)16-8-9-16/h3-7,16H,8-14H2,1-2H3