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

Systemtic Name: 1-[3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]purin-8-yl]isonipecotamide Formula: C19H24N8O3S MolecularWeight: 444.51066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H24N8O3S/c1-11-3-6-21-17(22-11)31-10-9-27-13-15(25(2)19(30)24-16(13)29)23-18(27)26-7-4-12(5-8-26)14(20)28/h3,6,12H,4-5,7-10H2,1-2H3,(H2,20,28)(H,24,29,30)