(5S)-5-(furan-2-ylmethyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-(furan-2-ylmethyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-allyl-5-(2-furylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-(2-furanylmethyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(furan-2-ylmethyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-allyl-5-(2-furfuryliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(C(=O)NC1=S)C=NCC2=CC=CO2

Isomeric SMILES

C=CCN1C(=O)[C@H](C(=O)NC1=S)C=NCC2=CC=CO2

InChI

InChI=1S/C13H13N3O3S/c1-2-5-16-12(18)10(11(17)15-13(16)20)8-14-7-9-4-3-6-19-9/h2-4,6,8,10H,1,5,7H2,(H,15,17,20)/t10-/m0/s1