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

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]-8-(4-phenylpiperazino)xanthine Formula: C24H28N8O2S MolecularWeight: 492.59652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H28N8O2S/c1-17-9-10-25-22(26-17)35-16-15-32-19-20(28(2)24(34)29(3)21(19)33)27-23(32)31-13-11-30(12-14-31)18-7-5-4-6-8-18/h4-10H,11-16H2,1-3H3