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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H26N8O2S/c1-13-5-6-20-17(21-13)30-12-4-7-27-14-15(25(3)19(29)23-16(14)28)22-18(27)26-10-8-24(2)9-11-26/h5-6H,4,7-12H2,1-3H3,(H,23,28,29)