2-[[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-diethyl-azanium Openeye Name: 2-[(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl-diethyl-ammonium CAS Name: 2-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-diethylammonium IUPAC Name: 2-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-diethylazanium Traditional Name: 2-[(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl-diethyl-ammonium Formula: C14H23N4O2S+ MolecularWeight: 311.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN=CC1C(=O)NC(=S)N(C1=O)CC=C

Isomeric SMILES

CC[NH+](CC)CCN=CC1C(=O)NC(=S)N(C1=O)CC=C

InChI

InChI=1S/C14H22N4O2S/c1-4-8-18-13(20)11(12(19)16-14(18)21)10-15-7-9-17(5-2)6-3/h4,10-11H,1,5-9H2,2-3H3,(H,16,19,21)/p+1