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

Systemtic Name: 1,3,7-trimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[3-(4-phenyl-1-piperazinyl)propylamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[3-(4-phenylpiperazino)propylamino]xanthine Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCN3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCCN3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H29N7O2/c1-24-17-18(25(2)21(30)26(3)19(17)29)23-20(24)22-10-7-11-27-12-14-28(15-13-27)16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3,(H,22,23)