N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-(furan-2-ylmethyl)-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-(furan-2-ylmethyl)-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-furylmethyl)-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-(2-furanylmethyl)-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-N-(2-furfuryl)-2-(propylthio)pyrimidine-4-carboxamide Formula: C17H20ClN3O4S2 MolecularWeight: 429.9414

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CO2)[C@H]3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C17H20ClN3O4S2/c1-2-7-26-17-19-9-14(18)15(20-17)16(22)21(10-13-4-3-6-25-13)12-5-8-27(23,24)11-12/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3/t12-/m0/s1