[5-[[4,6-bis(methylsulfanyl)pyrimidin-5-yl]carbamoyl]furan-2-yl]methylcarbamic acid

Systemtic Name: [5-[[4,6-bis(methylsulfanyl)pyrimidin-5-yl]carbamoyl]furan-2-yl]methylcarbamic acid Openeye Name: [5-[[4,6-bis(methylsulfanyl)pyrimidin-5-yl]carbamoyl]-2-furyl]methylcarbamic acid CAS Name: [5-[[[4,6-bis(methylthio)-5-pyrimidinyl]amino]-oxomethyl]-2-furanyl]methylcarbamic acid IUPAC Name: [5-[[4,6-bis(methylsulfanyl)pyrimidin-5-yl]carbamoyl]furan-2-yl]methylcarbamic acid Traditional Name: [5-[[4,6-bis(methylthio)pyrimidin-5-yl]carbamoyl]-2-furyl]methylcarbamic acid Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC=N1)SC)NC(=O)C2=CC=C(O2)CNC(=O)O

Isomeric SMILES

CSC1=C(C(=NC=N1)SC)NC(=O)C2=CC=C(O2)CNC(=O)O

InChI

InChI=1S/C13H14N4O4S2/c1-22-11-9(12(23-2)16-6-15-11)17-10(18)8-4-3-7(21-8)5-14-13(19)20/h3-4,6,14H,5H2,1-2H3,(H,17,18)(H,19,20)