8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione

Systemtic Name: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[(4-ethylpiperazino)methyl]-1,3-dimethyl-7-phenacyl-xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H28N6O3/c1-4-26-10-12-27(13-11-26)15-18-23-20-19(21(30)25(3)22(31)24(20)2)28(18)14-17(29)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3