2-[6-azanyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]pyrimidin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[6-azanyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]pyrimidin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[6-amino-2,4-dioxo-3-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]pyrimidin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[6-amino-2,4-dioxo-3-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]-1-pyrimidinyl]ethyl-diethylammonium IUPAC Name: 2-[6-amino-2,4-dioxo-3-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]pyrimidin-1-yl]ethyl-diethylazanium Traditional Name: 2-[6-amino-2,4-diketo-3-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]pyrimidin-1-yl]ethyl-diethyl-ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=CC(=O)N(C1=O)CC(=O)NCCSC2=CC=CC=C2)N

Isomeric SMILES

CC[NH+](CC)CCN1C(=CC(=O)N(C1=O)CC(=O)NCCSC2=CC=CC=C2)N

InChI

InChI=1S/C20H29N5O3S/c1-3-23(4-2)11-12-24-17(21)14-19(27)25(20(24)28)15-18(26)22-10-13-29-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15,21H2,1-2H3,(H,22,26)/p+1