5-nitro-4,6-bis[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine

Systemtic Name: 5-nitro-4,6-bis[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine Openeye Name: 4,6-bis[(4-isopropoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine CAS Name: 5-nitro-4,6-bis[(4-propan-2-yloxyphenyl)methylthio]pyrimidine IUPAC Name: 5-nitro-4,6-bis[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine Traditional Name: 4,6-bis[(4-isopropoxybenzyl)thio]-5-nitro-pyrimidine Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S2/c1-16(2)30-20-9-5-18(6-10-20)13-32-23-22(27(28)29)24(26-15-25-23)33-14-19-7-11-21(12-8-19)31-17(3)4/h5-12,15-17H,13-14H2,1-4H3