(5S)-5-(cyclopropyliminomethyl)-1-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-(cyclopropyliminomethyl)-1-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-(cyclopropyliminomethyl)-1-(2,5-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-(cyclopropyliminomethyl)-1-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(cyclopropyliminomethyl)-1-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-(cyclopropyliminomethyl)-1-(2,5-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C(C(=O)NC2=S)C=NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)[C@H](C(=O)NC2=S)C=NC3CC3

InChI

InChI=1S/C16H17N3O2S/c1-9-3-4-10(2)13(7-9)19-15(21)12(8-17-11-5-6-11)14(20)18-16(19)22/h3-4,7-8,11-12H,5-6H2,1-2H3,(H,18,20,22)/t12-/m0/s1