[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-methylamino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N5O3S/c1-26(13-17-9-11-18(32-3)12-10-17)15-19(29)27(2)20-21(24)28(23(31)25-22(20)30)14-16-7-5-4-6-8-16/h4-12H,13-15,24H2,1-3H3,(H,25,30,31)/p+1