(5S)-1-ethyl-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-ethyl-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-ethyl-5-(3-imidazol-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-ethyl-5-[3-(1-imidazolyl)propyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-ethyl-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-ethyl-5-(3-imidazol-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)NC1=S)C=NCCCN2C=CN=C2

Isomeric SMILES

CCN1C(=O)[C@H](C(=O)NC1=S)C=NCCCN2C=CN=C2

InChI

InChI=1S/C13H17N5O2S/c1-2-18-12(20)10(11(19)16-13(18)21)8-14-4-3-6-17-7-5-15-9-17/h5,7-10H,2-4,6H2,1H3,(H,16,19,21)/t10-/m0/s1