S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 2-piperidin-1-ylethanethioate

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 2-piperidin-1-ylethanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] 2-(1-piperidyl)ethanethioate CAS Name: 2-(1-piperidinyl)ethanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] 2-piperidin-1-ylethanethioate Traditional Name: 2-piperidinoethanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)CN3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)CN3CCCCC3

InChI

InChI=1S/C15H21N5O3S/c1-17-13-12(14(22)18(2)15(17)23)20(9-16-13)10-24-11(21)8-19-6-4-3-5-7-19/h9H,3-8,10H2,1-2H3