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

Systemtic Name: 3-[[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium Traditional Name: 3-[(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]propyl-dimethyl-ammonium Formula: C13H21N4O2S+ MolecularWeight: 297.39644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2S/c1-4-7-17-12(19)10(11(18)15-13(17)20)9-14-6-5-8-16(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,15,18,20)/p+1