5-[[4-azanyl-2-methyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-1-yl]methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine

Systemtic Name: 5-[[4-azanyl-2-methyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-1-yl]methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine Openeye Name: 5-[[4-amino-2-methyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-1-yl]methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine CAS Name: 5-[[4-amino-2-methyl-5-[(phenylthio)methyl]-1-pyrimidin-1-iumyl]methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine IUPAC Name: 5-[[4-amino-2-methyl-5-(phenylsulfanylmethyl)pyrimidin-1-ium-1-yl]methyl]-1,2-dimethylpyrimidin-1-ium-4-amine Traditional Name: [1-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-2-methyl-5-[(phenylthio)methyl]pyrimidin-1-ium-4-yl]amine Formula: C19H24N6S+2 MolecularWeight: 368.49906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)C[N+]2=C(N=C(C(=C2)CSC3=CC=CC=C3)N)C)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)C[N+]2=C(N=C(C(=C2)CSC3=CC=CC=C3)N)C)C

InChI

InChI=1S/C19H22N6S/c1-13-22-18(20)15(9-24(13)3)10-25-11-16(19(21)23-14(25)2)12-26-17-7-5-4-6-8-17/h4-9,11,20-21H,10,12H2,1-3H3/p+2