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

Systemtic Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-[3-(1-imidazolyl)propyliminomethyl]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(C(=O)NC2=S)C=NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)[C@@H](C(=O)NC2=S)C=NCCCN3C=CN=C3

InChI

InChI=1S/C18H19N5O2S/c1-13-4-2-5-14(10-13)23-17(25)15(16(24)21-18(23)26)11-19-6-3-8-22-9-7-20-12-22/h2,4-5,7,9-12,15H,3,6,8H2,1H3,(H,21,24,26)/t15-/m1/s1