3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-[(4-methyl-2-pyrimidinyl)thio]propyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylpropyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-[(4-methylpyrimidin-2-yl)thio]propyl]-8-(4-phenylpiperazino)xanthine Formula: C25H30N8O2S MolecularWeight: 506.6231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(C)CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC(C)CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C25H30N8O2S/c1-17(16-36-23-26-10-9-18(2)27-23)15-33-20-21(30(3)25(35)29-22(20)34)28-24(33)32-13-11-31(12-14-32)19-7-5-4-6-8-19/h4-10,17H,11-16H2,1-3H3,(H,29,34,35)