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

Systemtic Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[3-[(4-chlorophenyl)thio]propyl]-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[3-[(4-chlorophenyl)thio]propyl]-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C25H27ClN6O2S MolecularWeight: 511.03888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN6O2S/c1-29-22-21(23(33)28-25(29)34)32(12-5-17-35-20-10-8-18(26)9-11-20)24(27-22)31-15-13-30(14-16-31)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,28,33,34)