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

Systemtic Name: 7-heptyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-heptyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 7-heptyl-1,3-dimethyl-8-[(4-phenyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 7-heptyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-heptyl-1,3-dimethyl-8-[(4-phenylpiperazino)methyl]xanthine Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H36N6O2/c1-4-5-6-7-11-14-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-29-15-17-30(18-16-29)20-12-9-8-10-13-20/h8-10,12-13H,4-7,11,14-19H2,1-3H3