[[4-carbamimidoylsulfanyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]amino] ethanoate

Systemtic Name: [[4-carbamimidoylsulfanyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]amino] ethanoate Openeye Name: [[4-carbamimidoylsulfanyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]amino] acetate CAS Name: acetic acid [[4-(carbamimidoylthio)-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-2-pyrimidinyl]amino] ester IUPAC Name: [[4-carbamimidoylsulfanyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methylpyrimidin-2-yl]amino] acetate Traditional Name: acetic acid [[4-(amidinothio)-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]amino] ester Formula: C13H19N5O4S MolecularWeight: 341.38606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NOC(=O)C)SC(=N)N)CCC2OCCO2

Isomeric SMILES

CC1=C(C(=NC(=N1)NOC(=O)C)SC(=N)N)CCC2OCCO2

InChI

InChI=1S/C13H19N5O4S/c1-7-9(3-4-10-20-5-6-21-10)11(23-12(14)15)17-13(16-7)18-22-8(2)19/h10H,3-6H2,1-2H3,(H3,14,15)(H,16,17,18)