[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+](CC)CC2=CC=CS2)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+](CC)CC2=CC=CS2)N

InChI

InChI=1S/C16H22N4O3S/c1-3-7-20-14(17)13(15(22)18-16(20)23)12(21)10-19(4-2)9-11-6-5-8-24-11/h5-6,8H,3-4,7,9-10,17H2,1-2H3,(H,18,22,23)/p+1