2-[2,6-bis(azanyl)pyrimidin-4-yl]sulfanyl-1-(4-methoxy-2-oxidanyl-phenyl)ethanone

Systemtic Name: 2-[2,6-bis(azanyl)pyrimidin-4-yl]sulfanyl-1-(4-methoxy-2-oxidanyl-phenyl)ethanone Openeye Name: 2-(2,6-diaminopyrimidin-4-yl)sulfanyl-1-(2-hydroxy-4-methoxy-phenyl)ethanone CAS Name: 2-[(2,6-diamino-4-pyrimidinyl)thio]-1-(2-hydroxy-4-methoxyphenyl)ethanone IUPAC Name: 2-(2,6-diaminopyrimidin-4-yl)sulfanyl-1-(2-hydroxy-4-methoxyphenyl)ethanone Traditional Name: 2-[(2,6-diaminopyrimidin-4-yl)thio]-1-(2-hydroxy-4-methoxy-phenyl)ethanone Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NC(=NC(=C2)N)N)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NC(=NC(=C2)N)N)O

InChI

InChI=1S/C13H14N4O3S/c1-20-7-2-3-8(9(18)4-7)10(19)6-21-12-5-11(14)16-13(15)17-12/h2-5,18H,6H2,1H3,(H4,14,15,16,17)