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

Systemtic Name: 1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[3-(4-phenyl-1-piperazinyl)propylamino]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[3-(4-phenylpiperazino)propylamino]-7-(3-phenylpropyl)xanthine Formula: C29H37N7O2 MolecularWeight: 515.64978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCN(CC3)C4=CC=CC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCN(CC3)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C29H37N7O2/c1-32-26-25(27(37)33(2)29(32)38)36(18-9-13-23-11-5-3-6-12-23)28(31-26)30-16-10-17-34-19-21-35(22-20-34)24-14-7-4-8-15-24/h3-8,11-12,14-15H,9-10,13,16-22H2,1-2H3,(H,30,31)