8-ethoxy-1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione

Systemtic Name: 8-ethoxy-1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione Openeye Name: 8-ethoxy-1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione CAS Name: 8-ethoxy-1,3-dimethyl-7-[4-(4-phenyl-1-piperazinyl)butyl]purine-2,6-dione IUPAC Name: 8-ethoxy-1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione Traditional Name: 8-ethoxy-1,3-dimethyl-7-[4-(4-phenylpiperazino)butyl]xanthine Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H32N6O3/c1-4-32-22-24-20-19(21(30)26(3)23(31)25(20)2)29(22)13-9-8-12-27-14-16-28(17-15-27)18-10-6-5-7-11-18/h5-7,10-11H,4,8-9,12-17H2,1-3H3