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

Systemtic Name: 8-ethoxy-1,3-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 8-ethoxy-1,3-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione CAS Name: 8-ethoxy-1,3-dimethyl-7-[3-(4-phenyl-1-piperazinyl)propyl]purine-2,6-dione IUPAC Name: 8-ethoxy-1,3-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione Traditional Name: 8-ethoxy-1,3-dimethyl-7-[3-(4-phenylpiperazino)propyl]xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC1=NC2=C(N1CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H30N6O3/c1-4-31-21-23-19-18(20(29)25(3)22(30)24(19)2)28(21)12-8-11-26-13-15-27(16-14-26)17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-16H2,1-3H3