(5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-[3-(1-imidazolyl)propyliminomethyl]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)NC1=S)C=NCCCN2C=CN=C2

Isomeric SMILES

CN1C(=O)[C@@H](C(=O)NC1=S)C=NCCCN2C=CN=C2

InChI

InChI=1S/C12H15N5O2S/c1-16-11(19)9(10(18)15-12(16)20)7-13-3-2-5-17-6-4-14-8-17/h4,6-9H,2-3,5H2,1H3,(H,15,18,20)/t9-/m1/s1