4,6-bis[(4-methoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine

Systemtic Name: 4,6-bis[(4-methoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine Openeye Name: 4,6-bis[(4-methoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine CAS Name: 4,6-bis[(4-methoxyphenyl)methylthio]-5-nitropyrimidine IUPAC Name: 4,6-bis[(4-methoxyphenyl)methylsulfanyl]-5-nitropyrimidine Traditional Name: 5-nitro-4,6-bis(p-anisylthio)pyrimidine Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S2/c1-26-16-7-3-14(4-8-16)11-28-19-18(23(24)25)20(22-13-21-19)29-12-15-5-9-17(27-2)10-6-15/h3-10,13H,11-12H2,1-2H3