1-[3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-7-[3-[(4-methyl-2-pyrimidinyl)thio]propyl]-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-[3-[(4-methylpyrimidin-2-yl)thio]propyl]purin-8-yl]isonipecotamide Formula: C20H26N8O3S MolecularWeight: 458.53724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H26N8O3S/c1-12-4-7-22-18(23-12)32-11-3-8-28-14-16(26(2)20(31)25-17(14)30)24-19(28)27-9-5-13(6-10-27)15(21)29/h4,7,13H,3,5-6,8-11H2,1-2H3,(H2,21,29)(H,25,30,31)