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

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[[3-(1-imidazolyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

InChI

InChI=1S/C19H25N5O2S/c25-17-16(13-20-8-4-10-23-12-9-21-14-23)18(26)24(19(27)22-17)11-7-15-5-2-1-3-6-15/h5,9,12-14,20H,1-4,6-8,10-11H2,(H,22,25,27)