methanesulfonic acid; 1-methyl-3-(2-oxidanylidene-5-pyrimidin-4-yl-1H-pyridin-3-yl)thiourea

Systemtic Name: methanesulfonic acid; 1-methyl-3-(2-oxidanylidene-5-pyrimidin-4-yl-1H-pyridin-3-yl)thiourea Openeye Name: methanesulfonic acid; 1-methyl-3-(2-oxo-5-pyrimidin-4-yl-1H-pyridin-3-yl)thiourea CAS Name: methanesulfonic acid; 1-methyl-3-[2-oxo-5-(4-pyrimidinyl)-1H-pyridin-3-yl]thiourea IUPAC Name: methanesulfonic acid; 1-methyl-3-(2-oxo-5-pyrimidin-4-yl-1H-pyridin-3-yl)thiourea Traditional Name: 1-[2-keto-5-(4-pyrimidyl)-1H-pyridin-3-yl]-3-methyl-thiourea; mesylic acid Formula: C12H15N5O4S2 MolecularWeight: 357.4086

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC(=CNC1=O)C2=NC=NC=C2.CS(=O)(=O)O

Isomeric SMILES

CNC(=S)NC1=CC(=CNC1=O)C2=NC=NC=C2.CS(=O)(=O)O

InChI

InChI=1S/C11H11N5OS.CH4O3S/c1-12-11(18)16-9-4-7(5-14-10(9)17)8-2-3-13-6-15-8;1-5(2,3)4/h2-6H,1H3,(H,14,17)(H2,12,16,18);1H3,(H,2,3,4)