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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)N3CCCC3)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C\C2=CC=C(C=C2)N3CCCC3)/C(=O)NC1=S

InChI

InChI=1S/C16H17N3O2S/c1-18-15(21)13(14(20)17-16(18)22)10-11-4-6-12(7-5-11)19-8-2-3-9-19/h4-7,10H,2-3,8-9H2,1H3,(H,17,20,22)/b13-10-