8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-[3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-[3-(phenylthio)propyl]xanthine Formula: C26H30N6O3S MolecularWeight: 506.6198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCCSC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCCSC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O3S/c1-29-23-22(24(33)28-26(29)34)32(13-6-18-36-21-7-4-3-5-8-21)25(27-23)31-16-14-30(15-17-31)19-9-11-20(35-2)12-10-19/h3-5,7-12H,6,13-18H2,1-2H3,(H,28,33,34)