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

Systemtic Name: 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-[2-(4-methylthiazol-2-yl)sulfanylethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[2-[(4-methyl-2-thiazolyl)thio]ethyl]-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-[2-[(4-methylthiazol-2-yl)thio]ethyl]-8-(4-phenylpiperazino)xanthine Formula: C22H25N7O2S2 MolecularWeight: 483.6096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H25N7O2S2/c1-15-14-33-22(23-15)32-13-12-29-17-18(26(2)21(31)25-19(17)30)24-20(29)28-10-8-27(9-11-28)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,25,30,31)