(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-(5-oxidanyl-3-sulfanyl-pentan-2-ylidene)azanium

Systemtic Name: (4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-(5-oxidanyl-3-sulfanyl-pentan-2-ylidene)azanium Openeye Name: (4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-(4-hydroxy-1-methyl-2-sulfanyl-butylidene)ammonium CAS Name: (4-amino-2-methyl-5-pyrimidinyl)methyl-formyl-(5-hydroxy-3-mercaptopentan-2-ylidene)ammonium IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methyl-formyl-(5-hydroxy-3-sulfanylpentan-2-ylidene)azanium Traditional Name: (4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-(4-hydroxy-2-mercapto-1-methyl-butylidene)ammonium Formula: C12H19N4O2S+ MolecularWeight: 283.36986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)C[N+](=C(C)C(CCO)S)C=O

Isomeric SMILES

CC1=NC=C(C(=N1)N)C[N+](=C(C)C(CCO)S)C=O

InChI

InChI=1S/C12H18N4O2S/c1-8(11(19)3-4-17)16(7-18)6-10-5-14-9(2)15-12(10)13/h5,7,11,17H,3-4,6H2,1-2H3,(H2-,13,14,15,19)/p+1