5-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-methyl-4-pyrrolidino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)N3CCCC3

InChI

InChI=1S/C16H17N3O2S/c1-10-8-11(4-5-13(10)19-6-2-3-7-19)9-12-14(20)17-16(22)18-15(12)21/h4-5,8-9H,2-3,6-7H2,1H3,(H2,17,18,20,21,22)