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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)NC1=S

InChI

InChI=1S/C14H17N5O2S/c1-2-6-19-13(21)11(12(20)17-14(19)22)9-15-4-3-7-18-8-5-16-10-18/h2,5,8-10,15H,1,3-4,6-7H2,(H,17,20,22)