2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]pyridin-3-yl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]pyridin-3-yl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-pyridyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylthio]-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]pyridin-3-yl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(2-methoxy-5-nitro-benzyl)thio]-3-pyridyl]-1,4,5,6-tetrahydropyrimidine Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=C(C=CC=N2)C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=C(C=CC=N2)C3=NCCCN3

InChI

InChI=1S/C17H18N4O3S/c1-24-15-6-5-13(21(22)23)10-12(15)11-25-17-14(4-2-7-20-17)16-18-8-3-9-19-16/h2,4-7,10H,3,8-9,11H2,1H3,(H,18,19)