1-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxo-ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-[4-(cyclopropanecarbonyl)piperazino]-2-keto-ethyl]-7-ethyl-xanthine Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C24H28N6O4/c1-2-26-16-25-21-20(26)23(33)30(24(34)29(21)14-17-6-4-3-5-7-17)15-19(31)27-10-12-28(13-11-27)22(32)18-8-9-18/h3-7,16,18H,2,8-15H2,1H3