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

Systemtic Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-3-methyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-3-methyl-8-(4-methylpiperazino)xanthine Formula: C19H26N8O2S MolecularWeight: 430.52714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N8O2S/c1-12-11-13(2)21-17(20-12)30-10-9-27-14-15(25(4)19(29)23-16(14)28)22-18(27)26-7-5-24(3)6-8-26/h11H,5-10H2,1-4H3,(H,23,28,29)