[5-[5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl thiocyanate

Systemtic Name: [5-[5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl thiocyanate Openeye Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl)tetrahydrofuran-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [5-(2,4-diketo-5-methyl-hexahydropyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)NC1=O)C2CC(C(O2)CSC#N)O

Isomeric SMILES

CC1CN(C(=O)NC1=O)C2CC(C(O2)CSC#N)O

InChI

InChI=1S/C11H15N3O4S/c1-6-3-14(11(17)13-10(6)16)9-2-7(15)8(18-9)4-19-5-12/h6-9,15H,2-4H2,1H3,(H,13,16,17)