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

Systemtic Name: 3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]-8-(4-phenylpiperazino)xanthine Formula: C23H26N8O2S MolecularWeight: 478.56994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H26N8O2S/c1-16-8-9-24-21(25-16)34-15-14-31-18-19(28(2)23(33)27-20(18)32)26-22(31)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9H,10-15H2,1-2H3,(H,27,32,33)