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

Systemtic Name: (5S)-1-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(2,4-dimethylphenyl)-5-(3-pyridylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(2,4-dimethylphenyl)-5-(3-pyridinylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(2,4-dimethylphenyl)-5-(3-pyridylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)[C@H](C(=O)NC2=S)C=NCC3=CN=CC=C3)C

InChI

InChI=1S/C19H18N4O2S/c1-12-5-6-16(13(2)8-12)23-18(25)15(17(24)22-19(23)26)11-21-10-14-4-3-7-20-9-14/h3-9,11,15H,10H2,1-2H3,(H,22,24,26)/t15-/m0/s1