5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

InChI

InChI=1S/C18H19N5O3S/c1-26-15-6-3-2-5-14(15)23-17(25)13(16(24)21-18(23)27)11-19-7-4-9-22-10-8-20-12-22/h2-3,5-6,8,10-12,19H,4,7,9H2,1H3,(H,21,24,27)