7-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(4-o-phenetylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H26N6O4/c1-4-31-16-8-6-5-7-15(16)25-9-11-26(12-10-25)17(28)13-27-14-22-19-18(27)20(29)24(3)21(30)23(19)2/h5-8,14H,4,9-13H2,1-3H3