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

Systemtic Name: 7-butyl-1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[3-(4-phenyl-1-piperazinyl)propylamino]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-[3-(4-phenylpiperazino)propylamino]xanthine Formula: C24H35N7O2 MolecularWeight: 453.5804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NCCCN3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1NCCCN3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H35N7O2/c1-4-5-14-31-20-21(27(2)24(33)28(3)22(20)32)26-23(31)25-12-9-13-29-15-17-30(18-16-29)19-10-7-6-8-11-19/h6-8,10-11H,4-5,9,12-18H2,1-3H3,(H,25,26)