[4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl thiocyanate

Systemtic Name: [4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl thiocyanate Openeye Name: [4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl thiocyanate CAS Name: thiocyanic acid [4-(2,4-dioxo-1-pyrimidinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl thiocyanate Traditional Name: thiocyanic acid [4-(2,4-diketopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CSC#N)C

Isomeric SMILES

CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CSC#N)C

InChI

InChI=1S/C13H15N3O5S/c1-13(2)20-9-7(5-22-6-14)19-11(10(9)21-13)16-4-3-8(17)15-12(16)18/h3-4,7,9-11H,5H2,1-2H3,(H,15,17,18)