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

Systemtic Name: (5S)-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-allyl-5-(3-imidazol-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-[3-(1-imidazolyl)propyliminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-allyl-5-(3-imidazol-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O2S/c1-2-6-19-13(21)11(12(20)17-14(19)22)9-15-4-3-7-18-8-5-16-10-18/h2,5,8-11H,1,3-4,6-7H2,(H,17,20,22)/t11-/m0/s1