[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] thiocyanate

Systemtic Name: [2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] thiocyanate Openeye Name: [2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(2-oxopyrrolidin-1-yl)ethyl] thiocyanate CAS Name: thiocyanic acid [2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxopyrrolidin-1-yl)ethyl] thiocyanate Traditional Name: thiocyanic acid [2-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-(2-ketopyrrolidino)ethyl] ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C(CSC#N)N2CCCC2=O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C(CSC#N)N2CCCC2=O

InChI

InChI=1S/C12H14N4O3S/c1-8-5-16(12(19)14-11(8)18)9(6-20-7-13)15-4-2-3-10(15)17/h5,9H,2-4,6H2,1H3,(H,14,18,19)