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

Systemtic Name: 1-[3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-7-[2-methyl-3-[(4-methyl-2-pyrimidinyl)thio]propyl]-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylpropyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-[2-methyl-3-[(4-methylpyrimidin-2-yl)thio]propyl]purin-8-yl]isonipecotamide Formula: C21H28N8O3S MolecularWeight: 472.56382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(C)CN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC(C)CN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C

InChI

InChI=1S/C21H28N8O3S/c1-12(11-33-19-23-7-4-13(2)24-19)10-29-15-17(27(3)21(32)26-18(15)31)25-20(29)28-8-5-14(6-9-28)16(22)30/h4,7,12,14H,5-6,8-11H2,1-3H3,(H2,22,30)(H,26,31,32)