4-nitro-2-[sulfanyl(1,4,5,6-tetrahydropyrimidin-2-yl)methyl]phenol

Systemtic Name: 4-nitro-2-[sulfanyl(1,4,5,6-tetrahydropyrimidin-2-yl)methyl]phenol Openeye Name: 4-nitro-2-[sulfanyl(1,4,5,6-tetrahydropyrimidin-2-yl)methyl]phenol CAS Name: 2-[mercapto(1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-4-nitrophenol IUPAC Name: 4-nitro-2-[sulfanyl(1,4,5,6-tetrahydropyrimidin-2-yl)methyl]phenol Traditional Name: 2-[mercapto(1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-4-nitro-phenol Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C(C2=C(C=CC(=C2)[N+](=O)[O-])O)S

Isomeric SMILES

C1CNC(=NC1)C(C2=C(C=CC(=C2)[N+](=O)[O-])O)S

InChI

InChI=1S/C11H13N3O3S/c15-9-3-2-7(14(16)17)6-8(9)10(18)11-12-4-1-5-13-11/h2-3,6,10,15,18H,1,4-5H2,(H,12,13)